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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H21BrN2O6 MolecularWeight: 489.31594

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)COC2=CC=C(C=C2)Br)OC)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)COC2=CC=C(C=C2)Br)OC)/C#N

InChI

InChI=1S/C22H21BrN2O6/c1-28-10-9-25-22(27)16(13-24)11-15-3-8-19(20(12-15)29-2)31-21(26)14-30-18-6-4-17(23)5-7-18/h3-8,11-12H,9-10,14H2,1-2H3,(H,25,27)/b16-11+