[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(2-bromanyl-4-phenyl-phenoxy)ethanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(2-bromanyl-4-phenyl-phenoxy)ethanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(2-bromo-4-phenyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-phenylphenoxy)acetic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-(2-bromo-4-phenylphenoxy)acetate Traditional Name: 2-(2-bromo-4-phenyl-phenoxy)acetic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H23BrN2O5 MolecularWeight: 547.39662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C28H23BrN2O5/c1-3-13-31-28(33)22(17-30)14-19-9-11-25(26(15-19)34-2)36-27(32)18-35-24-12-10-21(16-23(24)29)20-7-5-4-6-8-20/h3-12,14-16H,1,13,18H2,2H3,(H,31,33)