Compound Identification
SMILES
COC1=CC2=C(C=C1)C(Cl)=C(S2)C(=O)NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=KKMJVTXETUCTDA-UHFFFAOYSA-N
Formula
C17H12ClN3O5S
Mass
405.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
1-benzothiophenes Benzoic acids and derivatives Anisoles Thiophene carboxamides Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Benzoic acid or derivatives - Benzothiophene - Nitrobenzene - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic salt - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available