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

Systemtic Name: potassium 7-nitro-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Openeye Name: potassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate CAS Name: potassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate IUPAC Name: potassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Traditional Name: potassium 2-keto-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Formula: C16H10KN3O5 MolecularWeight: 363.366

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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-].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5.K/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);/q;+1/p-1