1-(2-bromanyl-4-fluoranyl-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(2-bromanyl-4-fluoranyl-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2-bromo-4-fluoro-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(2-bromo-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2-bromo-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2-bromo-4-fluoro-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C18H11BrFN3O3 MolecularWeight: 416.200643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)F)Br)C(=O)O)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)F)Br)C(=O)O)C#N

InChI

InChI=1S/C18H11BrFN3O3/c1-26-12-5-2-10(3-6-12)17-13(9-21)16(18(24)25)22-23(17)15-7-4-11(20)8-14(15)19/h2-8H,1H3,(H,24,25)