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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)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-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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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=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O5/c1-3-10-25-22(27)16(13-24)11-15-4-9-19(20(12-15)28-2)30-21(26)14-29-18-7-5-17(23)6-8-18/h3-9,11-12H,1,10,14H2,2H3,(H,25,27)