[(2S)-2-oxidanyl-3-(3-oxidanylidene-2-pyridin-2-yl-1H-pyrazol-4-yl)propyl] benzoate

Systemtic Name: [(2S)-2-oxidanyl-3-(3-oxidanylidene-2-pyridin-2-yl-1H-pyrazol-4-yl)propyl] benzoate Openeye Name: [(2S)-2-hydroxy-3-[3-oxo-2-(2-pyridyl)-1H-pyrazol-4-yl]propyl] benzoate CAS Name: benzoic acid [(2S)-2-hydroxy-3-[3-oxo-2-(2-pyridinyl)-1H-pyrazol-4-yl]propyl] ester IUPAC Name: [(2S)-2-hydroxy-3-(3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)propyl] benzoate Traditional Name: benzoic acid [(2S)-2-hydroxy-3-[5-keto-1-(2-pyridyl)-3-pyrazolin-4-yl]propyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CC2=CNN(C2=O)C3=CC=CC=N3)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@H](CC2=CNN(C2=O)C3=CC=CC=N3)O

InChI

InChI=1S/C18H17N3O4/c22-15(12-25-18(24)13-6-2-1-3-7-13)10-14-11-20-21(17(14)23)16-8-4-5-9-19-16/h1-9,11,15,20,22H,10,12H2/t15-/m0/s1