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

Systemtic Name: 1-[(2S)-1-(3-ethoxypropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1S)-2-(3-ethoxypropylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2S)-1-(3-ethoxypropylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1S)-2-(3-ethoxypropylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C12H18N3O4- MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(C)N1C=C(C=N1)C(=O)[O-]

Isomeric SMILES

CCOCCCNC(=O)[C@H](C)N1C=C(C=N1)C(=O)[O-]

InChI

InChI=1S/C12H19N3O4/c1-3-19-6-4-5-13-11(16)9(2)15-8-10(7-14-15)12(17)18/h7-9H,3-6H2,1-2H3,(H,13,16)(H,17,18)/p-1/t9-/m0/s1