Compound Identification
SMILES
C[C@@H](NC1=CC(N[C@@H](CCCNC2=CC(N[C@H](C)C3=CC=CC=C3)=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C(O)=O)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=ZFMWOQPQMUKOKL-LGVFNWMJSA-N
Formula
C33H34N8O10
Mass
702.681
Taxonomic Classification
Taxonomy Tree
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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
L-alpha-amino acids Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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