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

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-methoxybenzoate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H18BrN3O5 MolecularWeight: 484.29942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CN=C3)Br)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CN=C3)Br)OC

InChI

InChI=1S/C22H18BrN3O5/c1-29-18-5-3-4-15(10-18)22(28)31-19-7-6-14(8-20(19)30-2)11-25-26-21(27)16-9-17(23)13-24-12-16/h3-13H,1-2H3,(H,26,27)/b25-11+