2-chloranyl-5-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]benzoic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN2O4/c1-10-2-5-16(22)14(6-10)17(23)11-8-20-21(9-11)12-3-4-15(19)13(7-12)18(24)25/h2-9,22H,1H3,(H,24,25)