Compound Identification
SMILES
COC1=CC=CC=C1CNC1=C(C=C(C=C1)C1=NC(=NO1)C1=CC(C)=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=XNYMBFYWDGWEEI-UHFFFAOYSA-N
Formula
C23H20N4O4
Mass
416.437
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
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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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
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
Phenyloxadiazoles Nitrobenzenes Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Toluenes Secondary alkylarylamines Alkyl aryl ethers Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbenzamine - Phenyl-1,2,4-oxadiazole - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Aniline or substituted anilines - Phenylalkylamine - Benzylamine - Methoxybenzene - Toluene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Oxadiazole - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available