Compound Identification
SMILES
COC1=CC(=C(C=C1)C1=CC=C(O1)\C=C(/C#N)C1=NC2=CC=CC=C2N1)[N+]([O-])=O
InChIKey
InChIKey=BSJMJHSYAHIBFV-JLHYYAGUSA-N
Formula
C21H14N4O4
Mass
386.367
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
Benzimidazoles Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Furans Heteroaromatic compounds Imidazoles Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic salts Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzimidazole - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Furan - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organopnictogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic salt - 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