Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCCOC1=NO[N+]([O-])=C1S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=ZCGOVQSPXMUPAB-UHFFFAOYSA-N
Formula
C27H26N4O11S
Mass
614.58
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
Benzenesulfonyl compounds Nitroaromatic compounds Alkyl aryl ethers Dihydropyridines Dicarboxylic acids and derivatives Furoxans Vinylogous amides Sulfones Enoate esters Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Dialkylamines Organic oxoazanium compounds Enamines Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Alkyl aryl ether - Dihydropyridine - Hydropyridine - Furoxan - Dicarboxylic acid or derivatives - Furazan - Methyl ester - Vinylogous amide - Sulfonyl - Azole - Oxadiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Sulfone - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Enamine - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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