(1Z,4E)-5-(4-methoxyphenyl)-3-oxidanylidene-1-phenylazanyl-penta-1,4-dien-1-olate; nickel(2+)

Systemtic Name: (1Z,4E)-5-(4-methoxyphenyl)-3-oxidanylidene-1-phenylazanyl-penta-1,4-dien-1-olate; nickel(2+) Openeye Name: nickelous (1Z,4E)-1-anilino-5-(4-methoxyphenyl)-3-oxo-penta-1,4-dien-1-olate CAS Name: (1Z,4E)-1-anilino-5-(4-methoxyphenyl)-3-oxo-1-penta-1,4-dienolate; nickel(2+) IUPAC Name: (1Z,4E)-1-anilino-5-(4-methoxyphenyl)-3-oxopenta-1,4-dien-1-olate; nickel(2+) Traditional Name: nickelous (1Z,4E)-1-anilino-3-keto-5-(4-methoxyphenyl)penta-1,4-dien-1-olate Formula: C36H32N2NiO6 MolecularWeight: 647.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)C=C(NC2=CC=CC=C2)[O-].COC1=CC=C(C=C1)C=CC(=O)C=C(NC2=CC=CC=C2)[O-].[Ni+2]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)/C=C(\[O-])/NC2=CC=CC=C2.COC1=CC=C(C=C1)/C=C/C(=O)/C=C(\[O-])/NC2=CC=CC=C2.[Ni+2]

InChI

InChI=1S/2C18H17NO3.Ni/c2*1-22-17-11-8-14(9-12-17)7-10-16(20)13-18(21)19-15-5-3-2-4-6-15;/h2*2-13,19,21H,1H3;/q;;+2/p-2/b2*10-7+,18-13-;