Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NNC(=O)COC(=O)C=CC1=CC=C(Br)O1
InChIKey
InChIKey=PLQUBGDZTACFNF-UHFFFAOYSA-N
Formula
C17H14BrClN2O6
Mass
457.66
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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Fatty acid esters Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Furans Enoate esters Carboxylic acid hydrazides Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Fatty acid ester - Chlorobenzene - Halobenzene - Alkyl aryl ether - Fatty acyl - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid hydrazide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available