5-(2-ethanoyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-ethanoyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-(2-acetyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2-hydroxy-benzoic acid CAS Name: 5-(2-acetyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2-hydroxybenzoic acid IUPAC Name: 5-(2-acetyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2-hydroxybenzoic acid Traditional Name: 5-(2-acetyl-5-phenyl-2-pyrazolin-3-yl)-2-hydroxy-benzoic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C18H16N2O4/c1-11(21)20-16(10-15(19-20)12-5-3-2-4-6-12)13-7-8-17(22)14(9-13)18(23)24/h2-9,16,22H,10H2,1H3,(H,23,24)