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

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O4/c1-28-19-9-14(11-24-25-20(26)16-10-17(22)13-23-12-16)7-8-18(19)29-21(27)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)/b24-11+