Compound Identification
SMILES
COC1=C(C=C(C=C1)C1NC2=C(C3=C(CN(C)CC3)S2)C(=O)N1)[N+]([O-])=O
InChIKey
InChIKey=LWUYHGORGFTNIW-UHFFFAOYSA-N
Formula
C17H18N4O4S
Mass
374.42
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
3,4,5-trisubstituted-2-aminothiophenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - 3,4,5-trisubstituted-2-aminothiophene - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Nitroaromatic compound - Alkyl aryl ether - Aralkylamine - 2-aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Lactam - Organic nitro compound - Tertiary amine - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic zwitterion - 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