Compound Identification
SMILES
COC1=CC=CC(NC(=O)[C@H](OC(=O)C2=CC(=C(C=C2)N(C)C)[N+]([O-])=O)C2=CC=CC=C2)=C1
InChIKey
InChIKey=SKUWCWZISKQRKR-JOCHJYFZSA-N
Formula
C24H23N3O6
Mass
449.463
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 Phenylacetamides Benzoic acid esters Benzyloxycarbonyls Anilides Methoxyanilines Nitrobenzenes Anisoles Phenoxy compounds Benzoyl derivatives Dialkylarylamines Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid esters Amino acids and derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Phenylacetamide - Benzyloxycarbonyl - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Methoxyaniline - Phenol ether - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Nitroaromatic compound - Phenoxy compound - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organic salt - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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