2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; gadolinium(3+)

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; gadolinium(3+) Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-(2-oxido-2-oxo-ethyl)amino]acetate; gadolinium(3+) CAS Name: 2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl-(2-oxido-2-oxoethyl)amino]acetate; gadolinium(3+) IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-(2-oxido-2-oxoethyl)amino]acetate; gadolinium(3+) Traditional Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-(2-keto-2-oxido-ethyl)amino]acetate; gadolinium(3+) Formula: C11H15GdN3O4+ MolecularWeight: 410.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(CC(=O)[O-])CC(=O)[O-])C.[Gd+3]

Isomeric SMILES

CC1=CC(=NN1CCN(CC(=O)[O-])CC(=O)[O-])C.[Gd+3]

InChI

InChI=1S/C11H17N3O4.Gd/c1-8-5-9(2)14(12-8)4-3-13(6-10(15)16)7-11(17)18;/h5H,3-4,6-7H2,1-2H3,(H,15,16)(H,17,18);/q;+3/p-2