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Structure & Deep Data of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline (C15H12N2O2)

Identification of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline Chemical Compound

2D chemical structure image of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline
Chemical Formula C15H12N2O2
Molecular Weight 252.26798 g/mol
IUPAC Name (NE)-4-nitro-N-[(2E)-3-phenylprop-2-en-1-ylidene]aniline
SMILES String [O-][N+](=O)c2ccc(N=CC=Cc1ccccc1)cc2
InChI InChI=1S/C15H12N2O2/c18-17(19)15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12H/b7-4+,16-12+
InChIKey RXBUYUMXXZKCCT-JAFAMXRVSA-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 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline molecule contains a total of 32 bond(s). There are 20 non-H bond(s), 16 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 imine(s) (aliphatic), and 1 nitro group(s) (aromatic). Images of the chemical structure of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline are given below:

2D chemical structure image of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline
2-dimensional (2D) chemical structure image of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline
3D chemical structure image of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline
3-dimensional (3D) chemical structure image of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline

The 2D chemical structure image of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline 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 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline 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 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline is provided here.

The 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline 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 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline 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 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline 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.


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Additional Information for Identifying 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline Molecule

  • Other names (synonyms) or registry numbers of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline

    The 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline including the various registry numbers, if available:

    • (E)-N-(4-nitrophenyl)-3-phenylprop-2-en-1-imine
    • 15286-45-0
    • (4-nitrophenyl)-[(E)-3-phenylprop-2-enylidene]amine
    • N-(4-nitrophenyl)-3-phenyl-prop-2-en-1-imine
    • (E)-N-(4-nitrophenyl)-3-phenyl-prop-2-en-1-imine
    • N-(4-nitrophenyl)-3-phenylprop-2-en-1-imine
    • (4-nitrophenyl)-(3-phenylprop-2-enylidene)amine

4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline?
C15H12N2O2
How many atoms and what are the elements included the 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline molecule?
31 atom(s) - 12 Hydrogen atom(s), 15 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline structure?
32 bond(s) - 20 non-H bond(s), 16 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 imine(s) (aliphatic), and 1 nitro group(s) (aromatic)
What’s the 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline’s molecular weight?
252.26798 g/mol
What’s the SMILES code of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline?
[O-][N+](=O)c2ccc(N=CC=Cc1ccccc1)cc2
What’s the InChI string of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline?
InChI=1S/C15H12N2O2/c18-17(19)15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12H/b7-4+,16-12+
What’s the InChIKey code of 4-nitro-n-[(1e)-3-phenylprop-2-en-1-ylidene]aniline?
RXBUYUMXXZKCCT-JAFAMXRVSA-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).

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