Compound Identification
SMILES
CN(CCCNC(=O)\C=C\C1=CC=C(O)C=C1)CCCNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=NBGHVWSVAYJNEB-IZZDOVSWSA-N
Formula
C22H27N5O6
Mass
457.487
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Cinnamic acid amides Coumaric acids and derivatives Nitrobenzenes Styrenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Cinnamic acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Styrene - Phenylalkylamine - Secondary aliphatic/aromatic amine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organic nitro compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic 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