Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(NC2C2=CC(=CC=C2)[N+]([O-])=O)C=C(Cl)C=C1
InChIKey
InChIKey=GPUBYNOKVNWERC-UHFFFAOYSA-N
Formula
C21H20ClN3O3
Mass
397.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds 1,4-diazepines Aralkylamines Cyclohexenones Secondary alkylarylamines Aryl chlorides Vinylogous amides Organic oxoazanium compounds Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Nitrobenzene - Nitroaromatic compound - Para-diazepine - Secondary aliphatic/aromatic amine - Aralkylamine - Cyclohexenone - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Organic nitro compound - Ketone - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Enamine - Organic oxoazanium - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available