Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C2N([C@@H](O)[C@@H]3CCCN3C(=O)C2=C1)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=VOKIQLVXBJYCQF-CUNXSJBXSA-N
Formula
C28H27N3O8
Mass
533.537
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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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
Benzyloxycarbonyls Nitrobenzenes Anisoles Nitroaromatic compounds Alkyl aryl ethers Tertiary carboxylic acid amides Carbamate esters Vinylogous amides Pyrrolidines Lactams Organic oxoazanium compounds Azacyclic compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Benzyloxycarbonyl - Nitrobenzene - Phenol ether - Nitroaromatic compound - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrolidine - Organic nitro compound - Lactam - C-nitro compound - Carboxamide group - Alkanolamine - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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