1-[(2R)-1-oxidanylidene-1-(2-pyrazol-1-ylethylamino)propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-(2-pyrazol-1-ylethylamino)propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[2-(1-pyrazolyl)ethylamino]propan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-oxo-1-(2-pyrazol-1-ylethylamino)propan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(2-pyrazol-1-ylethylamino)ethyl]pyrazole-4-carboxylate Formula: C12H14N5O3- MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN1C=CC=N1)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCN1C=CC=N1)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C12H15N5O3/c1-9(17-8-10(7-15-17)12(19)20)11(18)13-4-6-16-5-2-3-14-16/h2-3,5,7-9H,4,6H2,1H3,(H,13,18)(H,19,20)/p-1/t9-/m1/s1