[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromo-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)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-(4-bromo-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)acetic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC)C)Br

InChI

InChI=1S/C24H23BrN2O5/c1-5-8-27-24(29)18(13-26)11-17-6-7-20(21(12-17)30-4)32-22(28)14-31-23-15(2)9-19(25)10-16(23)3/h5-7,9-12H,1,8,14H2,2-4H3,(H,27,29)