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

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2S)-1-oxo-1-[[(2S)-2-oxolanyl]methylamino]propan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]pyrazole-4-carboxylate Formula: C12H16N3O4- MolecularWeight: 266.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCO1)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H]1CCCO1)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C12H17N3O4/c1-8(15-7-9(5-14-15)12(17)18)11(16)13-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,13,16)(H,17,18)/p-1/t8-,10-/m0/s1