sodium; nickel; [2-[N-(2-oxidanyl-2-oxidanylidene-ethyl)-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide

Systemtic Name: sodium; nickel; [2-[N-(2-oxidanyl-2-oxidanylidene-ethyl)-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide Openeye Name: sodium; [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-(2-hydroxy-2-oxo-ethyl)-C-phenyl-carbonimidoyl]phenyl]azanide; nickel CAS Name: sodium; [2-[(2-hydroxy-2-oxoethyl)imino-phenylmethyl]phenyl]-[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]azanide; nickel IUPAC Name: sodium; [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-(2-hydroxy-2-oxoethyl)-C-phenylcarbonimidoyl]phenyl]azanide; nickel Traditional Name: sodium; [(2S)-1-benzylprolyl]-[2-[N-(2-hydroxy-2-keto-ethyl)-C-phenyl-carbonimidoyl]phenyl]azanide; nickel Formula: C27H25N3NaNiO3- MolecularWeight: 521.18887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)C(=O)[N-]C3=CC=CC=C3C(=N[CH-]C(=O)O)C4=CC=CC=C4.[Na+].[Ni]

Isomeric SMILES

C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)[N-]C3=CC=CC=C3C(=N[CH-]C(=O)O)C4=CC=CC=C4.[Na+].[Ni]

InChI

InChI=1S/C27H26N3O3.Na.Ni/c31-25(32)18-28-26(21-12-5-2-6-13-21)22-14-7-8-15-23(22)29-27(33)24-16-9-17-30(24)19-20-10-3-1-4-11-20;;/h1-8,10-15,18,24H,9,16-17,19H2,(H2,28,29,31,32,33);;/q-1;+1;/p-1/t24-;;/m0../s1