SDF/Mol File of 6-Nitroveratraldehyde (C9H9NO5)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 6-Nitroveratraldehyde Molecule

• Chemical structure of 6-Nitroveratraldehyde

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 6-Nitroveratraldehyde is available in chemical structure page of 6-Nitroveratraldehyde, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 6-Nitroveratraldehyde

  The molecular weight of 6-Nitroveratraldehyde is available in molecular weight page of 6-Nitroveratraldehyde, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 6-Nitroveratraldehyde

  The chemical formula of 6-Nitroveratraldehyde is given in chemical formula page of 6-Nitroveratraldehyde, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 6-Nitroveratraldehyde

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 6-Nitroveratraldehyde is:

  InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3

  It can provide a standard way to encode the molecular information of 6-Nitroveratraldehyde to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 6-Nitroveratraldehyde is:

  InChIKey=YWSPWKXREVSQCA-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 6-Nitroveratraldehyde, but it needs to be linked to the full InChI to get back to the original structure of the 6-Nitroveratraldehyde since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 6-Nitroveratraldehyde

  The 6-Nitroveratraldehyde compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 6-Nitroveratraldehyde including the registry numbers are listed below, if available:

  • AR-1H2429
  • 3,4-Dimethoxy-6-nitrobenzaldehyde; 4,5-Dimethoxy-2-nitrobenzaldehyde
  • BRD-K03564313-001-02-5
  • I14-0112
  • I01-8180
  • C-10960
  • A814482
  • M-7308
  • W4291
  • N0538

  • B6945
  • 6-Nitroveratraldehyde, technical grade, 80%
  • 4CH-015310
  • BBV-46876421
  • DMNB|4,5-Dimethoxy-2-nitrobenzaldehyde
  • 2-nitro-4,5-bis(methyloxy)benzaldehyde
  • 4,5-Dimethoxy-2-nitrobenzaldehyde #
  • MFCD00007134
  • BDBM50398040
  • ANW-24040

  • CS-D1696
  • 4,5-Dimethoxy-2-formylnitrobenzene
  • HMS3268J17
  • 6-Nitro veratraldehyde
  • W-107627
  • DNA-Dependent Protein Kinase Inhibitor
  • AE-641/30608009
  • 2-Nitro-4,5-dimethoxybenzaldehyde
  • Benzaldehyde, 4,5-dimethoxy-2-nitro-
  • DNA-PK Inhibitor

  • 4,5-dimethoxy-2-nitro-benzaldehyde
  • 3,4-Dimethoxy-6-nitrobenzaldehyde
  • DMNB
  • 20357-25-9
  • 6-Nitroveratraldehyde
  • RTR-009488

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6-Nitroveratraldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the 6-Nitroveratraldehyde formula?
C9H9NO5
How many atoms and what elements are included in the 6-Nitroveratraldehyde molecule?
24 atom(s) - 9 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 6-Nitroveratraldehyde structure?
24 bond(s) - 15 non-H bond(s), 9 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aldehyde(s) (aromatic), 1 nitro group(s) (aromatic), and 2 ether(s) (aromatic)
What’s the 6-Nitroveratraldehyde’s molar mass?
211.17146 g/mol
What’s the SMILES structure of 6-Nitroveratraldehyde?
COc1cc(C=O)c(cc1OC)[N+]([O-])=O
What’s the InChI code of 6-Nitroveratraldehyde?
InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3
What’s the InChIKey format of 6-Nitroveratraldehyde?
YWSPWKXREVSQCA-UHFFFAOYSA-N

34 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).