gadolinium(3+); 2-[2-indazol-2-ylethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: gadolinium(3+); 2-[2-indazol-2-ylethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: gadolinium(3+); 2-[2-indazol-2-ylethyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: gadolinium(3+); 2-[2-(2-indazolyl)ethyl-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: gadolinium(3+); 2-[2-indazol-2-ylethyl-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: gadolinium(3+); 2-[2-indazol-2-ylethyl-(2-keto-2-oxido-ethyl)amino]acetate Formula: C13H13GdN3O4+ MolecularWeight: 432.51002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN(N=C2C=C1)CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

C1=CC2=CN(N=C2C=C1)CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C13H15N3O4.Gd/c17-12(18)8-15(9-13(19)20)5-6-16-7-10-3-1-2-4-11(10)14-16;/h1-4,7H,5-6,8-9H2,(H,17,18)(H,19,20);/q;+3/p-2