Compound Identification
SMILES
OC(=O)C1=CC(=C(N2CCN(CC2)C2=CC=C(C=C2)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=VNHSJTGWBGDTJT-UHFFFAOYSA-N
Formula
C17H15N5O8
Mass
417.334
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Phenylpiperazines N-arylpiperazines Nitrobenzoic acids and derivatives Aminobenzoic acids Benzoic acids Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Amino acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organooxygen compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzoate - Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1,4-diazinane - Piperazine - Amino acid or derivatives - C-nitro compound - Amino acid - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available