Compound Identification
SMILES
COC1=C(C=NNC(=O)CNC2=CC=CC=C2C)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BYPVFNQXBADXEM-UHFFFAOYSA-N
Formula
C17H18N4O4
Mass
342.355
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acids and derivatives Methoxyanilines Phenylalkylamines Phenoxy compounds Aminotoluenes Nitroaromatic compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Methoxyaniline - Phenol ether - Anisole - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Toluene - Secondary aliphatic/aromatic amine - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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