[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(5-bromo-2-ethoxy-phenyl)prop-2-enoate CAS Name: 3-(5-bromo-2-ethoxyphenyl)-2-propenoic 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] 3-(5-bromo-2-ethoxyphenyl)prop-2-enoate Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)acrylic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

InChI

InChI=1S/C25H23BrN2O5/c1-4-12-28-25(30)19(16-27)13-17-6-9-22(23(14-17)31-3)33-24(29)11-7-18-15-20(26)8-10-21(18)32-5-2/h4,6-11,13-15H,1,5,12H2,2-3H3,(H,28,30)