Compound Identification
SMILES
COC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC=C(O2)C2=C(Br)C=C(C=C2)[N+]([O-])=O)C(=O)N1C
InChIKey
InChIKey=DOKDDHMYMOHIQS-UHFFFAOYSA-N
Formula
C23H16BrN3O6S
Mass
542.36
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
Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Thiazolidines Furans Heteroaromatic compounds Methyl esters Isothioureas Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Thiazolidine - Methyl ester - Carboxylic acid ester - Organic nitro compound - Isothiourea - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic 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