1-(3-chloranyl-4-methoxy-phenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid CAS Name: 1-(3-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Formula: C17H12ClFN2O3 MolecularWeight: 346.740183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C17H12ClFN2O3/c1-24-16-7-6-12(8-13(16)18)21-15(9-14(20-21)17(22)23)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,22,23)