Compound Identification
SMILES
CCC(O)(C(OC1=CC=CC=C1[N+]([O-])=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=CIWXBPRZCKYMAJ-UHFFFAOYSA-N
Formula
C17H17NO6
Mass
331.324
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
Phenylpropanoic acids Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Alpha hydroxy acids and derivatives Tertiary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - 3-phenylpropanoic-acid - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Alpha-hydroxy acid - Hydroxy acid - Tertiary alcohol - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic oxygen compound - Alcohol - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic 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