dipotassium 7-chloranyl-2,2-bis(oxidanyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate

Systemtic Name: dipotassium 7-chloranyl-2,2-bis(oxidanyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Openeye Name: dipotassium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate CAS Name: dipotassium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate IUPAC Name: dipotassium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Traditional Name: dipotassium 7-chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Formula: C16H12ClK2N2O4+ MolecularWeight: 409.92708

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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-].[K+].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O4.2K/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/p-1