1-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazole-4-carboxylate

Systemtic Name: 1-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazole-4-carboxylate CAS Name: 1-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazole-4-carboxylate Traditional Name: 1-[3-keto-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazole-4-carboxylate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-11(12-5-3-2-4-6-12)17-14(19)7-8-18-10-13(9-16-18)15(20)21/h2-6,9-11H,7-8H2,1H3,(H,17,19)(H,20,21)/p-1/t11-/m0/s1