1-(1,3-benzoxazol-2-yl)-5-(4-fluoranyl-3-methyl-phenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-5-(4-fluoranyl-3-methyl-phenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(1,3-benzoxazol-2-yl)-5-(4-fluoro-3-methyl-phenyl)pyrazole-3-carboxylic acid CAS Name: 1-(1,3-benzoxazol-2-yl)-5-(4-fluoro-3-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzoxazol-2-yl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(1,3-benzoxazol-2-yl)-5-(4-fluoro-3-methyl-phenyl)pyrazole-3-carboxylic acid Formula: C18H12FN3O3 MolecularWeight: 337.304583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C3=NC4=CC=CC=C4O3)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C3=NC4=CC=CC=C4O3)C(=O)O)F

InChI

InChI=1S/C18H12FN3O3/c1-10-8-11(6-7-12(10)19)15-9-14(17(23)24)21-22(15)18-20-13-4-2-3-5-16(13)25-18/h2-9H,1H3,(H,23,24)