Compound Identification
SMILES
COC1=C(OC)C=C2C(COC3=CC=C(C=C3)[N+]([O-])=O)N(CCC2=C1)C(=O)C1CC1
InChIKey
InChIKey=BZHAEOQSJDCIEC-UHFFFAOYSA-N
Formula
C22H24N2O6
Mass
412.442
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 Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Tetrahydroisoquinoline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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