Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NC(=O)CCCCCNC3=C(C=C(C=C3)N=[N+]=[N-])[N+]([O-])=O)C3=CC(=O)C(OC)=CC=C23)=C1
InChIKey
InChIKey=QKEPLNZFLNFEEH-QHCPKHFHSA-N
Formula
C32H36N6O8
Mass
632.674
Taxonomic Classification
Taxonomy Tree
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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
Tropones Aniline and substituted anilines Phenylazides Phenylalkylamines Anisoles Nitroaromatic compounds Alkyl aryl ethers Secondary alkylarylamines N-acyl amines Secondary carboxylic acid amides Amino acids and derivatives Azo compounds Azo imides Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenol ether - Anisole - Phenylazide - Phenylalkylamine - Aniline or substituted anilines - Tropone - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Fatty acyl - Fatty amide - N-acyl-amine - C-nitro compound - Cyclic ketone - Carboxamide group - Secondary carboxylic acid amide - Azo imide - Organic nitro compound - Azo compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic 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