Compound Identification
SMILES
CC1=CC(=O)\C(=C\NC2=NC(=CS2)C2=CC=C(C=C2)[N+]([O-])=O)C(=O)O1
InChIKey
InChIKey=LZYARKAWIVHQAT-GHXNOFRVSA-N
Formula
C16H11N3O5S
Mass
357.34
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
Nitroaromatic compounds 2,4-disubstituted thiazoles Dihydropyranones 2-amino-1,3-thiazoles Vinylogous amides Enoate esters Enol esters Heteroaromatic compounds Cyclic ketones Lactones Oxacyclic compounds Organic oxoazanium compounds Enamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Organic zwitterions Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Dihydropyranone - 1,3-thiazol-2-amine - Azole - Enol ester - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketone - Lactone - C-nitro compound - Cyclic ketone - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic zwitterion - Aldehyde - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Aromatic heteromonocyclic 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