Compound Identification
SMILES
COC1=CC2=C(C=C1)N(C)C(S2)=NC(=O)C1=C(C=CC(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=VVRMDAXRDOLWBL-UHFFFAOYSA-N
Formula
C16H12ClN3O4S
Mass
377.8
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
Benzothiazoles Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Heteroaromatic compounds Isothioureas Carboxylic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Isothiourea - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic 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