Compound Identification
SMILES
CC1=C(SC(N)=N1)C(=O)N\N=C\C1=CC(=C([O-])C=C1)[N+]([O-])=O
InChIKey
InChIKey=IXQCFBLDIDTPEP-LHHJGKSTSA-M
Formula
C12H10N5O4S
Mass
320.3
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
Thiazolecarboxamides Nitroaromatic compounds 2,4,5-trisubstituted thiazoles Phenoxides 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Primary amines Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Nitroaromatic compound - Phenoxide - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Primary amine - Amine - Organic cation - 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