Compound Identification
SMILES
CCOC1=C(C(N2C(=O)C3=CC=CC=C3C2=O)=C(Cl)C=C1C(=O)OC)[N+]([O-])=O
InChIKey
InChIKey=AUHHDOHRGABCEF-UHFFFAOYSA-N
Formula
C18H13ClN2O7
Mass
404.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Phthalimides Nitrophenyl ethers 3-halobenzoic acids and derivatives Benzoic acid esters Isoindoles Phenoxy compounds Benzoyl derivatives Phenol ethers Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers N-substituted carboxylic acid imides Aryl chlorides Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Phthalimide - Nitrophenyl ether - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Isoindolone - Benzoate ester - Nitrobenzene - Isoindole or derivatives - Isoindole - Isoindoline - Benzoyl - Phenol ether - Nitroaromatic compound - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Carboxylic acid imide, n-substituted - Aryl halide - Methyl ester - Carboxylic acid imide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Organic oxoazanium - Ether - Azacycle - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic 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