Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C(NC2=CC=CC=C2C(O)=O)SCC2=CC=CC=C2)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC
InChIKey
InChIKey=XAPAQRLNHRXCMT-UHFFFAOYSA-N
Formula
C33H33N3O8S
Mass
631.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzoic acids Phenylalkylamines Benzoyl derivatives Nitroaromatic compounds Dihydropyridines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Amino acids Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkylamines Enamines Organic oxoazanium compounds Dialkylthioethers Organic salts Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Dihydropyridine - Hydropyridine - Dicarboxylic acid or derivatives - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid - C-nitro compound - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Enamine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic zwitterion - Hydrocarbon derivative - 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