Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(NC2C[C@H](OC3CCCCO3)[C@@](OCC=C)(C=O)C3=CC=CC=C23)C=C1)[N+]([O-])=O
InChIKey
InChIKey=JDPNFXTVMMXZLT-SIHRSVRCSA-N
Formula
C25H27N3O8
Mass
497.504
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
Tetralins Nitrobenzenes Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Oxanes Organic oxoazanium compounds Acetals Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Oxacyclic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - Tetralin - Nitrobenzene - Phenylalkylamine - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Oxane - C-nitro compound - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Acetal - Secondary amine - Organic oxoazanium - Aldehyde - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Amine - Hydrocarbon derivative - 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