1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-fluoranyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-fluoranyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-5-fluoro-pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-fluoro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-fluoropyrazole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-5-fluoro-pyrazole-3-carboxylic acid Formula: C18H14BrFN2O3 MolecularWeight: 405.217763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C(=CC(=N3)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C(=CC(=N3)C(=O)O)F

InChI

InChI=1S/C18H14BrFN2O3/c19-14-6-7-16(25-11-12-4-2-1-3-5-12)13(8-14)10-22-17(20)9-15(21-22)18(23)24/h1-9H,10-11H2,(H,23,24)