Compound Identification
SMILES
CC1=CC=CC(C)=C1NC(=O)COC(=O)C1=CC(=C(N)C=C1)[N+]([O-])=O
InChIKey
InChIKey=RBQDQBBJOCDLRZ-UHFFFAOYSA-N
Formula
C17H17N3O5
Mass
343.339
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 m-Xylenes Aniline and substituted anilines Benzoyl derivatives N-arylamides Nitroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - M-xylene - Xylene - Aniline or substituted anilines - N-arylamide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - 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