Compound Identification
SMILES
CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC1=CC(=O)N(C)C(=O)N1C)[N+]([O-])=O
InChIKey
InChIKey=DWIZVZIERAHACR-UHFFFAOYSA-N
Formula
C17H19N5O7
Mass
405.367
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 Aniline and substituted anilines Benzoyl derivatives N-arylamides Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Pyrimidones Hydropyrimidines Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Lactams Carboxylic acid esters Ureas Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Phenylalkylamine - Aniline or substituted anilines - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Urea - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic 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