copper; 2-azanyl-3-phenyl-propanoate; 1,10-phenanthroline; nitrate; dihydrate

Systemtic Name: copper; 2-azanyl-3-phenyl-propanoate; 1,10-phenanthroline; nitrate; dihydrate Openeye Name: copper; 2-amino-3-phenyl-propanoate; 1,10-phenanthroline; nitrate; dihydrate CAS Name: copper; 2-amino-3-phenylpropanoate; 1,10-phenanthroline; nitrate; dihydrate IUPAC Name: copper; 2-amino-3-phenylpropanoate; 1,10-phenanthroline; nitrate; dihydrate Traditional Name: cupric; 2-amino-3-phenyl-propionate; 1,10-phenanthroline; nitrate; dihydrate Formula: C21H22CuN4O7 MolecularWeight: 505.96798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2.C9H11NO2.Cu.NO3.2H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;10-8(9(11)12)6-7-4-2-1-3-5-7;;2-1(3)4;;/h1-8H;1-5,8H,6,10H2,(H,11,12);;;2*1H2/q;;+2;-1;;/p-1