Compound Identification
SMILES
OC(=O)C(CCCCN1[C@H]2CC[C@@H]1CC(=O)C2)NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=IJLNHAORUDFZTJ-MPYYAJLASA-N
Formula
C19H24N4O7
Mass
420.422
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acids Tropane alkaloids Nitro fatty acids Nitrobenzenes Medium-chain fatty acids Nitroaromatic compounds Phenylalkylamines Piperidinones Amino fatty acids Heterocyclic fatty acids Secondary alkylarylamines N-alkylpyrrolidines Cyclic ketones Trialkylamines Amino acids Organic oxoazanium compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - Alpha-amino acid - Alpha-amino acid or derivatives - Tropane alkaloid - Nitrobenzene - Nitro fatty acid - Nitroaromatic compound - Medium-chain fatty acid - Phenylalkylamine - Secondary aliphatic/aromatic amine - Amino fatty acid - Heterocyclic fatty acid - Piperidinone - N-alkylpyrrolidine - Fatty acyl - Piperidine - Fatty acid - Pyrrolidine - Cyclic ketone - Amino acid or derivatives - Organic nitro compound - Amino acid - Tertiary amine - Tertiary aliphatic amine - Ketone - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Amine - Aromatic heteropolycyclic 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