[4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-fluoranylbenzoate

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-fluoranylbenzoate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [4-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H15BrFN3O4 MolecularWeight: 472.263903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H15BrFN3O4/c1-29-19-7-13(10-25-26-20(27)15-8-16(22)12-24-11-15)5-6-18(19)30-21(28)14-3-2-4-17(23)9-14/h2-12H,1H3,(H,26,27)/b25-10+