Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C1=C(SC)N=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=MBEVFAZDBGNXEX-UHFFFAOYSA-N
Formula
C24H26N4O6S
Mass
498.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Azaspirodecane derivatives Benzoic acid esters Pyridinecarboxylic acids and derivatives Benzamides N-acylpiperidines Nitrobenzenes Benzoyl derivatives N-acylpyrrolidines Nitroaromatic compounds Alkylarylthioethers Vinylogous thioesters Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Azaspirodecane - Benzoate ester - Pyridine carboxylic acid or derivatives - Benzamide - Nitrobenzene - N-acyl-piperidine - Aryl thioether - Nitroaromatic compound - Benzoyl - N-acylpyrrolidine - Alkylarylthioether - Piperidine - Vinylogous thioester - Pyridine - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available