Compound Identification
SMILES
CN(CCOC(=O)C1=C(C)NC2=C(C1C1=CC=CC=C1[N+]([O-])=O)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C2)CC1=CC=CC=C1
InChIKey
InChIKey=QKNDYUGPBLFGJE-UHFFFAOYSA-N
Formula
C30H29N3O8S2
Mass
623.7
Taxonomic Classification
Taxonomy Tree
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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
Phenylmethylamines Benzylamines Nitroaromatic compounds Aralkylamines Dihydropyridines Vinylogous amides Sulfones Enoate esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Enamines Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Dihydropyridine - Aralkylamine - Sulfone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxoazanium - Enamine - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - 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