1-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-3-17(13-7-5-4-6-8-13)14(19)11(2)18-10-12(9-16-18)15(20)21/h4-11H,3H2,1-2H3,(H,20,21)/p-1/t11-/m0/s1