dipotassium (E)-(7-nitro-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepin-3-ylidene)-oxidanyl-methanolate hydroxide

Systemtic Name: dipotassium (E)-(7-nitro-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepin-3-ylidene)-oxidanyl-methanolate hydroxide Openeye Name: dipotassium (E)-hydroxy-(7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-ylidene)methanolate hydroxide CAS Name: dipotassium (E)-hydroxy-(7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-ylidene)methanolate hydroxide IUPAC Name: dipotassium (E)-hydroxy-(7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-ylidene)methanolate hydroxide Traditional Name: dipotassium (E)-hydroxy-(2-keto-7-nitro-5-phenyl-1H-1,4-benzodiazepin-3-ylidene)methanolate hydroxide Formula: C16H11K2N3O6 MolecularWeight: 419.47164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C(/O)\[O-])/C(=O)NC3=C2C=C(C=C3)[N+](=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;;;/h1-8,21-22H,(H,17,20);;;1H2/q;2*+1;/p-2