Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2=CC(=C(N)C=C2)[N+]([O-])=O)=C(C)N1C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=GOAPWXAJQZZILI-UHFFFAOYSA-N
Formula
C22H19N3O7
Mass
437.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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 Benzodioxoles Nitrobenzenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Substituted pyrroles Primary aromatic amines Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Aldehydes Organic salts Organopnictogen compounds Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Benzodioxole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aryl ketone - Aryl alkyl ketone - Primary aromatic amine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Organic salt - Hydrocarbon derivative - Amine - Aldehyde - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic 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