Compound Identification
SMILES
COc1ccc(cc1)-c1nc(NCc2cc(ccc2O)[N+]([O-])=O)sc1Cc1ccccc1
InChIKey
InChIKey=VBDHEMFIJWNCSE-UHFFFAOYSA-N
Formula
C24H21N3O4S
Mass
447.51
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 2,4,5-trisubstituted thiazoles Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenol - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Benzylamine - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Azole - C-nitro compound - Organic nitro compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Ether - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic 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