[2-[N-[(2R,3S)-3-acetyloxy-1-oxidanyl-1-oxidanylidene-butan-2-yl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]carbonyl-azanide; nickel

Systemtic Name: [2-[N-[(2R,3S)-3-acetyloxy-1-oxidanyl-1-oxidanylidene-butan-2-yl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]carbonyl-azanide; nickel Openeye Name: [2-[N-[(1R,2S)-2-acetoxy-1-carboxy-propyl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carbonyl]azanide; nickel CAS Name: [2-[[(2R,3S)-3-acetyloxy-1-hydroxy-1-oxobutan-2-yl]imino-phenylmethyl]phenyl]-[[(2S)-1-[(3,4-dichlorophenyl)methyl]-2-pyrrolidinyl]-oxomethyl]azanide; nickel IUPAC Name: [2-[N-[(2R,3S)-3-acetyloxy-1-hydroxy-1-oxobutan-2-yl]-C-phenylcarbonimidoyl]phenyl]-[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carbonyl]azanide; nickel Traditional Name: [2-[N-[(1R,2S)-2-acetoxy-1-carboxy-propyl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-(3,4-dichlorobenzyl)prolyl]azanide; nickel Formula: C31H30Cl2N3NiO5- MolecularWeight: 654.1864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2[N-]C(=O)C3CCCN3CC4=CC(=C(C=C4)Cl)Cl)OC(=O)C.[Ni]

Isomeric SMILES

C[C@@H]([C@H](C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2[N-]C(=O)[C@@H]3CCCN3CC4=CC(=C(C=C4)Cl)Cl)OC(=O)C.[Ni]

InChI

InChI=1S/C31H31Cl2N3O5.Ni/c1-19(41-20(2)37)28(31(39)40)35-29(22-9-4-3-5-10-22)23-11-6-7-12-26(23)34-30(38)27-13-8-16-36(27)18-21-14-15-24(32)25(33)17-21;/h3-7,9-12,14-15,17,19,27-28H,8,13,16,18H2,1-2H3,(H2,34,35,38,39,40);/p-1/t19-,27-,28+;/m0./s1