4-[[5-bromanyl-4-[(E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[5-bromanyl-4-[(E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[5-bromo-4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[5-bromo-4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[5-bromo-4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[5-bromo-4-[(E)-2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C26H20BrN2O6- MolecularWeight: 536.3508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)C(=O)[O-])OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)C(=O)[O-])OC)/C#N

InChI

InChI=1S/C26H21BrN2O6/c1-33-21-9-7-20(8-10-21)29-25(30)19(14-28)11-18-12-23(34-2)24(13-22(18)27)35-15-16-3-5-17(6-4-16)26(31)32/h3-13H,15H2,1-2H3,(H,29,30)(H,31,32)/p-1/b19-11+