Compound Identification
SMILES
CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=CC(=C(Cl)C=C3)[N+]([O-])=O)SC=C12)C1=CC=C(OC)C=C1
InChIKey
InChIKey=SJBHSHFANNUARY-UHFFFAOYSA-N
Formula
C23H17ClN4O7S
Mass
528.92
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Methoxyanilines Thieno[3,4-d]pyridazines Nitrobenzenes Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Pyridazinones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thienopyridazine - Thieno[3,4-d]pyridazine - Benzamide - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyridazinone - Pyridazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available