Home Structure This Compound
loading

Structure & Deep Data of N-(3-nitrophenyl)-N'-phenylurea (C13H11N3O3)

Identification of N-(3-nitrophenyl)-N'-phenylurea Chemical Compound

2D chemical structure image of N-(3-nitrophenyl)-N'-phenylurea
Chemical Formula C13H11N3O3
Molecular Weight 257.24474 g/mol
IUPAC Name 1-(3-nitrophenyl)-3-phenylurea
SMILES String [O-][N+](=O)c2cccc(NC(=O)Nc1ccccc1)c2
InChI InChI=1S/C13H11N3O3/c17-13(14-10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)16(18)19/h1-9H,(H2,14,15,17)
InChIKey MKGHYUVMRJIWPW-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N-(3-nitrophenyl)-N'-phenylurea molecule contains a total of 31 bond(s). There are 20 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 nitro group(s) (aromatic). Images of the chemical structure of N-(3-nitrophenyl)-N'-phenylurea are given below:

2D chemical structure image of N-(3-nitrophenyl)-N'-phenylurea
2-dimensional (2D) chemical structure image of N-(3-nitrophenyl)-N'-phenylurea
3D chemical structure image of N-(3-nitrophenyl)-N'-phenylurea
3-dimensional (3D) chemical structure image of N-(3-nitrophenyl)-N'-phenylurea

The 2D chemical structure image of N-(3-nitrophenyl)-N'-phenylurea is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N-(3-nitrophenyl)-N'-phenylurea are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of N-(3-nitrophenyl)-N'-phenylurea is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N-(3-nitrophenyl)-N'-phenylurea. Download structure data file (SDF/MOL) file of this compound.


chemical table area

loading image

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of N-(3-nitrophenyl)-N'-phenylurea is provided here.

The N-(3-nitrophenyl)-N'-phenylurea molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N-(3-nitrophenyl)-N'-phenylurea molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N-(3-nitrophenyl)-N'-phenylurea can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


Search Another Chemical Structure

Enter another compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying N-(3-nitrophenyl)-N'-phenylurea Molecule

  • Other names (synonyms) or registry numbers of N-(3-nitrophenyl)-N'-phenylurea

    The N-(3-nitrophenyl)-N'-phenylurea compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N-(3-nitrophenyl)-N'-phenylurea including the various registry numbers, if available:

    • T5771268
    • AB00077516-01
    • EN300-26811
    • UPCMLD0ENAT5771268:001
    • Urea,N-(3-nitrophenyl)-N'-phenyl-
    • Cambridge id 5262194
    • Ambcb5262194
    • 3-(3-nitrophenyl)-1-phenylurea
    • 2000-54-6
    • N-(3-nitrophenyl)-N'-phenylurea
    • Z44586821

N-(3-nitrophenyl)-N'-phenylurea Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of N-(3-nitrophenyl)-N'-phenylurea?
C13H11N3O3
How many atoms and what are the elements included the N-(3-nitrophenyl)-N'-phenylurea molecule?
30 atom(s) - 11 Hydrogen atom(s), 13 Carbon atom(s), 3 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the N-(3-nitrophenyl)-N'-phenylurea structure?
31 bond(s) - 20 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 nitro group(s) (aromatic)
What’s the N-(3-nitrophenyl)-N'-phenylurea’s molecular weight?
257.24474 g/mol
What’s the SMILES code of N-(3-nitrophenyl)-N'-phenylurea?
[O-][N+](=O)c2cccc(NC(=O)Nc1ccccc1)c2
What’s the InChI string of N-(3-nitrophenyl)-N'-phenylurea?
InChI=1S/C13H11N3O3/c17-13(14-10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)16(18)19/h1-9H,(H2,14,15,17)
What’s the InChIKey code of N-(3-nitrophenyl)-N'-phenylurea?
MKGHYUVMRJIWPW-UHFFFAOYSA-N

22 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.