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

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18BrN3O4/c1-2-29-20-10-15(12-25-26-21(27)17-11-18(23)14-24-13-17)8-9-19(20)30-22(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,26,27)/b25-12+