Compound Identification
SMILES
COC1=C(C=C(NC(=S)NC(NC(=O)C2=CC(Cl)=CC=C2)C(Cl)(Cl)Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NETHZKVUMYWGTC-UHFFFAOYSA-N
Formula
C17H14Cl4N4O4S
Mass
512.18
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-halobenzoic acids and derivatives N-phenylthioureas Benzamides Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Thioureas Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Alkyl chlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - N-phenylthiourea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Methoxyaniline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Thiourea - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Aromatic homomonocyclic 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