5-[5-(4-chlorophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[5-(4-chlorophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-acetyl-5-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2-acetyl-5-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-acetyl-5-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-hydroxybenzoic acid Traditional Name: 5-[2-acetyl-5-(4-chlorophenyl)-2-pyrazolin-3-yl]-2-hydroxy-benzoic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4/c1-10(22)21-16(12-4-7-17(23)14(8-12)18(24)25)9-15(20-21)11-2-5-13(19)6-3-11/h2-8,16,23H,9H2,1H3,(H,24,25)