Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)NC1=CC=C(C=C1)C1=NN2C=NN=C2S1)[N+]([O-])=O
InChIKey
InChIKey=PZEXRWNQBZAHDF-UHFFFAOYSA-N
Formula
C17H12N6O4S
Mass
396.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Anilides
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Level 5
Aromatic anilides
- Level 6 Benzanilides
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Level 5
Aromatic anilides
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Subclass
Anilides
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
Nitrophenyl ethers Benzamides Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Triazoles Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzanilide - Nitrophenyl ether - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - Thiadiazole - 1,2,4-triazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors
Not available