1-[(2S)-1-[(1-ethylpyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-[(1-ethylpyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-2-[(1-ethylpyrazol-4-yl)methylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[(1-ethyl-4-pyrazolyl)methylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[(1-ethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-[(1-ethylpyrazol-4-yl)methylamino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C13H16N5O3- MolecularWeight: 290.29784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C(C)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)[C@H](C)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-3-17-8-10(7-15-17)6-14-12(19)9(2)18-5-4-11(16-18)13(20)21/h4-5,7-9H,3,6H2,1-2H3,(H,14,19)(H,20,21)/p-1/t9-/m0/s1