Compound Identification
SMILES
CC1CCC2=C(C1)SC(NC(=O)COC1=C(C=C(C)C=C1)[N+]([O-])=O)=C2C#N
InChIKey
InChIKey=IVGOGXMDRWYFBI-UHFFFAOYSA-N
Formula
C19H19N3O4S
Mass
385.44
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
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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
Nitrotoluenes N-arylamides Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Toluene - Thiophene - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic cation - 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