Compound Identification
SMILES
CC1=CC=C(CNC2=C(C=C(C=C2)C2=NC(=NO2)C2=CC=CC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ZYPIXMBYHUBYDZ-UHFFFAOYSA-N
Formula
C21H17N5O3
Mass
387.399
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
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 Aniline and substituted anilines Benzylamines Nitroaromatic compounds Toluenes Secondary alkylarylamines Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbenzamine - Phenyl-1,2,4-oxadiazole - Nitrobenzene - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Benzylamine - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Pyridine - Heteroaromatic compound - 1,2,4-oxadiazole - Oxadiazole - Azole - Organic nitro compound - C-nitro compound - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Amine - 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