3-azanidyl-5-bromanyl-benzoate; palladium(2+); 1,10-phenanthroline

Systemtic Name: 3-azanidyl-5-bromanyl-benzoate; palladium(2+); 1,10-phenanthroline Openeye Name: 3-azanidyl-5-bromo-benzoate; palladium(2+); 1,10-phenanthroline CAS Name: 3-azanidyl-5-bromobenzoate; palladium(2+); 1,10-phenanthroline IUPAC Name: 3-azanidyl-5-bromobenzoate; palladium(2+); 1,10-phenanthroline Traditional Name: 3-amidyl-5-bromo-benzoate; palladium(2+); 1,10-phenanthroline Formula: C19H12BrN3O2Pd MolecularWeight: 500.64148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=C(C=C(C=C1[NH-])Br)C(=O)[O-].[Pd+2]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=C(C=C(C=C1[NH-])Br)C(=O)[O-].[Pd+2]

InChI

InChI=1S/C12H8N2.C7H5BrNO2.Pd/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-5-1-4(7(10)11)2-6(9)3-5;/h1-8H;1-3,9H,(H,10,11);/q;-1;+2/p-1