Compound Identification
SMILES
CC[C@@H](NC(=O)COC(=O)C1=CC(=C(N)C=C1)[N+]([O-])=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=PSIJDMZLRVSORS-MRXNPFEDSA-N
Formula
C19H21N3O5
Mass
371.393
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Phenylpropanes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Toluenes Amino acids and derivatives Carboxylic acid esters Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Toluene - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available