Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)C(=O)OCC(=O)N1N=C(CC1C1=CC=CO1)C1=CC=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=RZRBPRWFSHEIKB-UHFFFAOYSA-N
Formula
C24H20ClN3O8
Mass
513.89
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
M-methoxybenzoic acids and derivatives Nitrophenyl ethers P-methoxybenzoic acids and derivatives Dimethoxybenzenes Benzoic acid esters Methoxyanilines Nitroaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furans Pyrazolines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Organochlorides Organic salts Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - M-methoxybenzoic acid or derivatives - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazoline - Heteroaromatic compound - Furan - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organic zwitterion - Organic salt - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic 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