Compound Identification
SMILES
CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC1=C(C(=O)OCC)C2=C(CC(C)CC2)S1)[N+]([O-])=O
InChIKey
InChIKey=RFFSJRCRNRYICM-UHFFFAOYSA-N
Formula
C23H27N3O7S
Mass
489.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Aniline and substituted anilines Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Thiophene carboxylic acid or derivatives - N-arylamide - Secondary aliphatic/aromatic amine - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Secondary amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic salt - Organic oxygen compound - Organonitrogen compound - Organic zwitterion - 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