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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(2-bromanyl-4-propyl-phenoxy)ethanoate Openeye Name: [4-[(E)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(2-bromo-4-propyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-propylphenoxy)acetic acid [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-(2-bromo-4-propylphenoxy)acetate Traditional Name: 2-(2-bromo-4-propyl-phenoxy)acetic acid [4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H25BrN2O5 MolecularWeight: 513.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC=C)OC)Br

InChI

InChI=1S/C25H25BrN2O5/c1-4-6-17-7-9-21(20(26)13-17)32-16-24(29)33-22-10-8-18(14-23(22)31-3)12-19(15-27)25(30)28-11-5-2/h5,7-10,12-14H,2,4,6,11,16H2,1,3H3,(H,28,30)/b19-12+