Compound Identification
SMILES
OC(=O)NNC1=NC2=C(C=C(C=C2)[N+]([O-])=O)N(C2=CC=CC=C2Cl)C(=O)C1
InChIKey
InChIKey=XTTQILUJESSJKL-UHFFFAOYSA-N
Formula
C16H12ClN5O5
Mass
389.75
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
Nitroaromatic compounds 1,4-diazepines Chlorobenzenes Aryl chlorides Imidolactams Tertiary carboxylic acid amides Hydrazinecarboxylic acids Amidrazones Lactams Propargyl-type 1,3-dipolar organic compounds Amidines Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organochlorides Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Nitroaromatic compound - Para-diazepine - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Imidolactam - Hydrazinecarboxylic acid - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Carboxylic acid amidrazone - Organic nitro compound - Lactam - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Amidine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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