Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C(C(C=C2SC3=NC(C)=C(C(N3C2=O)C2=CC=CC=C2Cl)C(=O)OC(C)C)=C1)[N+]([O-])=O
InChIKey
InChIKey=NVVSUYHRFREEJN-UHFFFAOYSA-N
Formula
C32H28ClN3O7S
Mass
634.1
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
Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Anisole - Phenol ether - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Organic nitro compound - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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