Compound Identification
SMILES
CC1NC2=C(C=CC=C2[N+]([O-])=O)C(=O)N(C)C1C
InChIKey
InChIKey=YAFCKTYPAQXJKK-UHFFFAOYSA-N
Formula
C12H15N3O3
Mass
249.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Nitroaromatic compounds Secondary alkylarylamines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Tertiary amines Lactams Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Tertiary amine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Amine - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available