Compound Identification
SMILES
CCCC1=C(C(N2C(=O)C(SC2=N1)=CC1=C(O)C(=CC=C1)[N+]([O-])=O)C1=CC=CC=C1OC)C(=O)OCC
InChIKey
InChIKey=RPYGRNORFIQTQK-UHFFFAOYSA-N
Formula
C26H25N3O7S
Mass
523.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Thiazoles Enoate esters Heteroaromatic compounds Isothioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available