Compound Identification
SMILES
COC(=O)C1=C(C)N=C2SC(=CC3=CC4=C(OCO4)C=C3[N+]([O-])=O)C(=O)N2C1C1=CC=CC=C1
InChIKey
InChIKey=ZWGWZCMUFMRPIH-UHFFFAOYSA-N
Formula
C23H17N3O7S
Mass
479.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Nitroaromatic compounds Benzene and substituted derivatives Thiazoles Enoate esters Heteroaromatic compounds Methyl esters Isothioureas Lactams Acetals Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic salts Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Methyl ester - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Acetal - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available