Compound Identification
SMILES
COC1=CC=CC=C1NC(=O)C(C)OC(=O)C1=CC(C)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OGWXCCKGNQAESV-UHFFFAOYSA-N
Formula
C18H18N2O6
Mass
358.35
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
Benzoic acid esters Anilides Nitrotoluenes Nitrobenzenes Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organic salts Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitrotoluene - Methoxyaniline - Anilide - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Toluene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen 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