Compound Identification
SMILES
CCCCCOC1=CC=C(C=C1)C1N2C(=O)C(SC2=NC(C)=C1C(=O)OCC=C)=CC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=ZKYDWECJIKMMJM-UHFFFAOYSA-N
Formula
C29H29N3O6S
Mass
547.63
Taxonomic Classification
Taxonomy Tree
-
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
Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - 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