2-azanyl-3-(4-oxidanidylphenyl)propanoate; cobalt(2+); 2-(1H-imidazol-5-yl)ethanamine

Systemtic Name: 2-azanyl-3-(4-oxidanidylphenyl)propanoate; cobalt(2+); 2-(1H-imidazol-5-yl)ethanamine Openeye Name: cobaltous; 2-amino-3-(4-oxidophenyl)propanoate; 2-(1H-imidazol-5-yl)ethanamine CAS Name: 2-amino-3-(4-oxidophenyl)propanoate; cobalt(2+); 2-(1H-imidazol-5-yl)ethanamine IUPAC Name: 2-amino-3-(4-oxidophenyl)propanoate; cobalt(2+); 2-(1H-imidazol-5-yl)ethanamine Traditional Name: cobaltous; 2-amino-3-(4-oxidophenyl)propionate; 2-(1H-imidazol-5-yl)ethylamine Formula: C14H18CoN4O3 MolecularWeight: 349.25092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])N)[O-].C1=C(NC=N1)CCN.[Co+2]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)[O-])N)[O-].C1=C(NC=N1)CCN.[Co+2]

InChI

InChI=1S/C9H11NO3.C5H9N3.Co/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-2-1-5-3-7-4-8-5;/h1-4,8,11H,5,10H2,(H,12,13);3-4H,1-2,6H2,(H,7,8);/q;;+2/p-2