4-chloranyl-3-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]benzoate

Systemtic Name: 4-chloranyl-3-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]benzoate Openeye Name: 4-chloro-3-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]benzoate CAS Name: 4-chloro-3-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]benzoate IUPAC Name: 4-chloro-3-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]benzoate Traditional Name: 4-chloro-3-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]benzoate Formula: C18H12ClN2O4- MolecularWeight: 355.75188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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