gadolinium(3+); 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(2-pyrazol-1-ylethyl)amino]ethanoate

Systemtic Name: gadolinium(3+); 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(2-pyrazol-1-ylethyl)amino]ethanoate Openeye Name: gadolinium(3+); 2-[(2-oxido-2-oxo-ethyl)-(2-pyrazol-1-ylethyl)amino]acetate CAS Name: gadolinium(3+); 2-[(2-oxido-2-oxoethyl)-[2-(1-pyrazolyl)ethyl]amino]acetate IUPAC Name: gadolinium(3+); 2-[(2-oxido-2-oxoethyl)-(2-pyrazol-1-ylethyl)amino]acetate Traditional Name: gadolinium(3+); 2-[(2-keto-2-oxido-ethyl)-(2-pyrazol-1-ylethyl)amino]acetate Formula: C9H11GdN3O4+ MolecularWeight: 382.45134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4.Gd/c13-8(14)6-11(7-9(15)16)4-5-12-3-1-2-10-12;/h1-3H,4-7H2,(H,13,14)(H,15,16);/q;+3/p-2