disodium 7-chloranyl-2,2-bis(oxidanyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: disodium 7-chloranyl-2,2-bis(oxidanyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid Openeye Name: disodium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid CAS Name: disodium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: disodium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid Traditional Name: disodium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid Formula: C16H13ClN2Na2O4+2 MolecularWeight: 378.71796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O4.2Na/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(15(20)21)16(22,23)19-12;;/h1-8,14,19,22-23H,(H,20,21);;/q;2*+1