oxidanium; 2-[(E)-aminocarbonylazanidyliminomethyl]-6-methoxy-phenolate; nickel(2+); 1,10-phenanthroline

Systemtic Name: oxidanium; 2-[(E)-aminocarbonylazanidyliminomethyl]-6-methoxy-phenolate; nickel(2+); 1,10-phenanthroline Openeye Name: nickelous; oxonium; 2-[(E)-carbamoylazanidyliminomethyl]-6-methoxy-phenolate; 1,10-phenanthroline CAS Name: oxonium; 2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate; nickel(2+); 1,10-phenanthroline IUPAC Name: oxidanium; 2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate; nickel(2+); 1,10-phenanthroline Traditional Name: nickelous; oxonium; 2-[(E)-carbamoylazanidyliminomethyl]-6-methoxy-phenolate; 1,10-phenanthroline Formula: C21H20N5NiO4+ MolecularWeight: 465.108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[Ni+2]

Isomeric SMILES

COC1=CC=CC(=C1[O-])/C=N/[N-]C(=O)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[Ni+2]

InChI

InChI=1S/C12H8N2.C9H11N3O3.Ni.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;;/h1-8H;2-5H,1H3,(H4,10,11,12,13,14);;1H2/q;;+2;/p-1