dipotassium 7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid hydroxide

Systemtic Name: dipotassium 7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid hydroxide Openeye Name: dipotassium 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid hydroxide CAS Name: dipotassium 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid hydroxide IUPAC Name: dipotassium 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid hydroxide Traditional Name: dipotassium 7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid hydroxide Formula: C16H12ClK2N2O4+ MolecularWeight: 409.92708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O.[OH-].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O.[OH-].[K+].[K+]

InChI

InChI=1S/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-1