1-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylate

Systemtic Name: 1-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylate Openeye Name: 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylate CAS Name: 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-4-pyrazolecarboxylate IUPAC Name: 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-10(11-5-3-2-4-6-11)16-13(18)9-17-8-12(7-15-17)14(19)20/h2-8,10H,9H2,1H3,(H,16,18)(H,19,20)/p-1/t10-/m0/s1