Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C1=CC=CS1)[N+]([O-])=O
InChIKey
InChIKey=QGWCHILZGXZYHS-UHFFFAOYSA-N
Formula
C14H12N4O5S2
Mass
380.39
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
Benzoic acids and derivatives Methoxyanilines Thiophene carboxamides Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organosulfur compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Thiophene carboxamide - Methoxybenzene - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Thiosemicarbazide - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - 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