Compound Identification
SMILES
COC1=CC(\C=C2\SC(=NCC3=CC=CC=C3)N(CC3=CC=CC=C3)C2=O)=CC(=C1[O-])[N+]([O-])=O
InChIKey
InChIKey=ZPVOXZFTTFMZHC-HBAYPHMUSA-M
Formula
C25H20N3O5S
Mass
474.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
-
Subclass
Nitrobenzenes
-
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
Nitrophenyl ethers
Alternative Parents
Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Phenoxides Alkyl aryl ethers Thiazolidines Tertiary amines Amino acids and derivatives Isothioureas Organic oxoazanium compounds Azacyclic compounds Carboximidamides Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenoxide - Thiazolidine - Amino acid or derivatives - Isothiourea - C-nitro compound - Tertiary amine - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available