diethyl 2-acetamido-2-[(2-oxidanylpyrazol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(2-oxidanylpyrazol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(2-hydroxypyrazol-3-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(2-hydroxy-3-pyrazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(2-hydroxypyrazol-3-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(2-hydroxypyrazol-3-yl)methyl]malonic acid diethyl ester Formula: C13H19N3O6 MolecularWeight: 313.30646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=NN1O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=NN1O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C13H19N3O6/c1-4-21-11(18)13(15-9(3)17,12(19)22-5-2)8-10-6-7-14-16(10)20/h6-7,20H,4-5,8H2,1-3H3,(H,15,17)