Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)C1=NN(CC(=O)NC2=CC=CC3=C2CCCC3)C(=O)O1)[N+]([O-])=O
InChIKey
InChIKey=ZPTNMOAVTAOKBP-UHFFFAOYSA-N
Formula
C22H22N4O7
Mass
454.439
Taxonomic Classification
Taxonomy Tree
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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
Tetralins Dimethoxybenzenes Methoxyanilines Anisoles N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Tetralin - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - N-arylamide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Oxadiazole - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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