Compound Identification
SMILES
CC1=C(NC(=O)COC(=O)C2=CC(=C(N)C=C2)[N+]([O-])=O)C=C(Cl)C=C1
InChIKey
InChIKey=QKEOKDHZXZJDIN-UHFFFAOYSA-N
Formula
C16H14ClN3O5
Mass
363.75
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 Anilides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Toluenes Aryl chlorides Amino acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Primary amines Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Benzoyl - Aniline or substituted anilines - Halobenzene - Toluene - Chlorobenzene - Aryl halide - Aryl chloride - C-nitro compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary amine - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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