1-[(2S)-1-[butyl(methyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2S)-1-[butyl(methyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1S)-2-[butyl(methyl)amino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2S)-1-[butyl(methyl)amino]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[butyl(methyl)amino]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1S)-2-[butyl(methyl)amino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C12H18N3O3- MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O3/c1-4-5-6-14(3)11(16)9(2)15-8-10(7-13-15)12(17)18/h7-9H,4-6H2,1-3H3,(H,17,18)/p-1/t9-/m0/s1