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

Systemtic Name: 1-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C11H16N3O4- MolecularWeight: 254.26244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCOC)N1C=CC(=N1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O4/c1-8(10(15)12-5-3-7-18-2)14-6-4-9(13-14)11(16)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,15)(H,16,17)/p-1/t8-/m0/s1