Compound Identification
SMILES
CC1=C([C@H](NC(=O)N1)C1=CC(=C([O-])C=C1)[N+]([O-])=O)C(=O)OCCC1=CC=CC=C1
InChIKey
InChIKey=MHXSVBBJERLNGI-GOSISDBHSA-M
Formula
C20H18N3O6
Mass
396.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Phenoxides Pyrimidones Hydropyrimidines Vinylogous amides Enoate esters Ureas Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenoxide - Pyrimidone - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Urea - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available