1-methyl-3-[[(2S)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-[[(2S)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]pyrazole-4-carboxylate Openeye Name: 3-[[(2S)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[[[(2S)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 3-[[(2S)-2-hydroxy-2-phenylethyl]carbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[[(2S)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C14H14N3O4- MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC(C2=CC=CC=C2)O)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC[C@H](C2=CC=CC=C2)O)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-17-8-10(14(20)21)12(16-17)13(19)15-7-11(18)9-5-3-2-4-6-9/h2-6,8,11,18H,7H2,1H3,(H,15,19)(H,20,21)/p-1/t11-/m1/s1