[2-[N-(3-carboxy-1,5-dicyano-pentan-3-yl)-C-phenyl-carbonimidoyl]phenyl]-pyridin-2-ylcarbonyl-azanide; nickel

Systemtic Name: [2-[N-(3-carboxy-1,5-dicyano-pentan-3-yl)-C-phenyl-carbonimidoyl]phenyl]-pyridin-2-ylcarbonyl-azanide; nickel Openeye Name: [2-[N-[1-carboxy-3-cyano-1-(2-cyanoethyl)propyl]-C-phenyl-carbonimidoyl]phenyl]-(pyridine-2-carbonyl)azanide; nickel CAS Name: [2-[(3-carboxy-1,5-dicyanopentan-3-yl)imino-phenylmethyl]phenyl]-[oxo(2-pyridinyl)methyl]azanide; nickel IUPAC Name: [2-[N-(3-carboxy-1,5-dicyanopentan-3-yl)-C-phenylcarbonimidoyl]phenyl]-(pyridine-2-carbonyl)azanide; nickel Traditional Name: [2-[N-[1-carboxy-3-cyano-1-(2-cyanoethyl)propyl]-C-phenyl-carbonimidoyl]phenyl]-picolinoyl-azanide; nickel Formula: C27H22N5NiO3- MolecularWeight: 523.18868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NC(CCC#N)(CCC#N)C(=O)O)C2=CC=CC=C2[N-]C(=O)C3=CC=CC=N3.[Ni]

Isomeric SMILES

C1=CC=C(C=C1)C(=NC(CCC#N)(CCC#N)C(=O)O)C2=CC=CC=C2[N-]C(=O)C3=CC=CC=N3.[Ni]

InChI

InChI=1S/C27H23N5O3.Ni/c28-17-8-15-27(26(34)35,16-9-18-29)32-24(20-10-2-1-3-11-20)21-12-4-5-13-22(21)31-25(33)23-14-6-7-19-30-23;/h1-7,10-14,19H,8-9,15-16H2,(H2,31,32,33,34,35);/p-1