ethyl 4-[5-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-furyl]benzoic acid ethyl ester Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N/NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H16BrN3O4/c1-2-27-20(26)14-5-3-13(4-6-14)18-8-7-17(28-18)12-23-24-19(25)15-9-16(21)11-22-10-15/h3-12H,2H2,1H3,(H,24,25)/b23-12+