Compound Identification
SMILES
[O-][N+](=O)C1=CC(Cl)=C(OCC(=O)NC2=C(C#N)C3=C(CCCC3)S2)C=C1
InChIKey
InChIKey=YXBACYMRQCVQHS-UHFFFAOYSA-N
Formula
C17H14ClN3O4S
Mass
391.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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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
Phenoxy compounds Phenol ethers Nitroaromatic compounds N-arylamides Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carbonitrile - Organic oxoazanium - Nitrile - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Cyanide - 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