Compound Identification
SMILES
COC1=C(NC(=O)CN2C(=O)C3CC=C(Cl)CC3C2=O)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=WRNPJURTZNWTNX-UHFFFAOYSA-N
Formula
C17H16ClN3O6
Mass
393.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
Alpha amino acids and derivatives Isoindolones Anilides Isoindoles Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds N-arylamides Alkyl aryl ethers Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Lactams Secondary carboxylic acid amides Organic oxoazanium compounds Vinyl chlorides Chloroalkenes Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Methoxyaniline - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Chloroalkene - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Haloalkene - Organoheterocyclic compound - Organic salt - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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