1-[(2R)-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN(N=C1)C)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CN(N=C1)C)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C12H15N5O3/c1-8(17-7-10(5-15-17)12(19)20)11(18)13-3-9-4-14-16(2)6-9/h4-8H,3H2,1-2H3,(H,13,18)(H,19,20)/p-1/t8-/m1/s1