Compound Identification
SMILES
COC1=C(C=C(\C=N/NC(=O)CN2C=NC3=C(C4=C(CC(C)CC4)S3)C2=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=XATSTHQHIJONIV-AQHIEDMUSA-N
Formula
C21H21N5O5S
Mass
455.49
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
Thienopyrimidines Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Pyrimidones Thiophenes Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Thienopyrimidine - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic 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