Compound Identification
SMILES
CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VYRAYYNRLAPRGW-UHFFFAOYSA-N
Formula
C20H21ClN2O5
Mass
404.85
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
4-halobenzoic acids and derivatives Benzoic acid esters Phenylpropanes Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Phenylpropane - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic cation - 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