Compound Identification
SMILES
CC1=C([C@@H](N2C(=S)NC(=O)C=C2N1)C1=CC=CC=C1[N+]([O-])=O)C(=O)OC[C@@H]1CCCO1
InChIKey
InChIKey=NFCFJIGYTLIIAL-SGTLLEGYSA-N
Formula
C20H20N4O6S
Mass
444.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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-Thiopyrimidines Pyrimidones Pyrimidinethiones Vinylogous amides Enoate esters Heteroaromatic compounds Oxolanes Thioureas Lactams Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Enamines Oxacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Oxolane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Lactam - C-nitro compound - Thiourea - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Enamine - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Amine - 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