dipotassium 7-nitro-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide

Systemtic Name: dipotassium 7-nitro-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide Openeye Name: dipotassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide CAS Name: dipotassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide IUPAC Name: dipotassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide Traditional Name: dipotassium 2-keto-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide Formula: C16H11K2N3O6 MolecularWeight: 419.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5.2K.H2O/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15;;;/h1-8,14H,(H,17,20)(H,21,22);;;1H2/q;2*+1;/p-2