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

Systemtic Name: nickel(2+); (1Z,4E)-5-(4-nitrophenyl)-3-oxidanylidene-1-phenylazanyl-penta-1,4-dien-1-olate Openeye Name: nickelous (1Z,4E)-1-anilino-5-(4-nitrophenyl)-3-oxo-penta-1,4-dien-1-olate CAS Name: (1Z,4E)-1-anilino-5-(4-nitrophenyl)-3-oxo-1-penta-1,4-dienolate; nickel(2+) IUPAC Name: (1Z,4E)-1-anilino-5-(4-nitrophenyl)-3-oxopenta-1,4-dien-1-olate; nickel(2+) Traditional Name: nickelous (1Z,4E)-1-anilino-3-keto-5-(4-nitrophenyl)penta-1,4-dien-1-olate Formula: C34H26N4NiO8 MolecularWeight: 677.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=CC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])[O-].C1=CC=C(C=C1)NC(=CC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])[O-].[Ni+2]

Isomeric SMILES

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

InChI

InChI=1S/2C17H14N2O4.Ni/c2*20-16(12-17(21)18-14-4-2-1-3-5-14)11-8-13-6-9-15(10-7-13)19(22)23;/h2*1-12,18,21H;/q;;+2/p-2/b2*11-8+,17-12-;