[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromanyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromanyl-3-methyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromo-3-methyl-phenoxy)acetate CAS Name: 2-(4-bromo-3-methylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-(4-bromo-3-methylphenoxy)acetate Traditional Name: 2-(4-bromo-3-methyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C26H23BrN2O6 MolecularWeight: 539.37462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)COC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)COC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C26H23BrN2O6/c1-3-32-24-13-18(12-19(14-28)26(31)29-15-21-5-4-10-33-21)6-9-23(24)35-25(30)16-34-20-7-8-22(27)17(2)11-20/h4-13H,3,15-16H2,1-2H3,(H,29,31)/b19-12+