Compound Identification
SMILES
COC1=C(OC)C=C2C(N(CCC2=C1)C(=O)COC1=CC=CC=C1[N+]([O-])=O)C1=CC=CS1
InChIKey
InChIKey=KNDIHBJAOHBWDH-UHFFFAOYSA-N
Formula
C23H22N2O6S
Mass
454.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
Tetrahydroisoquinolines Anisoles Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Tetrahydroisoquinoline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - 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