4-[(3S)-3-oxidanyl-5-phenyl-1,3-dihydropyrazol-2-yl]benzoate

Systemtic Name: 4-[(3S)-3-oxidanyl-5-phenyl-1,3-dihydropyrazol-2-yl]benzoate Openeye Name: 4-[(3S)-3-hydroxy-5-phenyl-1,3-dihydropyrazol-2-yl]benzoate CAS Name: 4-[(3S)-3-hydroxy-5-phenyl-1,3-dihydropyrazol-2-yl]benzoate IUPAC Name: 4-[(3S)-3-hydroxy-5-phenyl-1,3-dihydropyrazol-2-yl]benzoate Traditional Name: 4-[(5S)-5-hydroxy-3-phenyl-3-pyrazolin-1-yl]benzoate Formula: C16H13N2O3- MolecularWeight: 281.28602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C3=CC=C(C=C3)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@@H](N(N2)C3=CC=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C16H14N2O3/c19-15-10-14(11-4-2-1-3-5-11)17-18(15)13-8-6-12(7-9-13)16(20)21/h1-10,15,17,19H,(H,20,21)/p-1/t15-/m0/s1