Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(NC(=O)COC(=O)C1=CC=CC=C1Br)S2
InChIKey
InChIKey=FWDSJGDPRAXLAN-UHFFFAOYSA-N
Formula
C17H13BrN2O4S
Mass
421.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Benzoic acid esters
Alternative Parents
2-halobenzoic acids and derivatives Benzothiazoles Anisoles Benzoyl derivatives N-arylamides Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Thiazoles Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Anisole - Benzoyl - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available