Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)\C=N/OC(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=YEKCJTAYAGQWPV-AUWJEWJLSA-N
Formula
C12H7BrN2O4S
Mass
355.16
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
2-nitrothiophenes Benzoyl derivatives Nitroaromatic compounds 2,5-disubstituted thiophenes Bromobenzenes Aryl bromides Heteroaromatic compounds Oxime esters Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Benzoyl - 2,5-disubstituted thiophene - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Oximester - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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