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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O5/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/h4-9,11-12H,3,10,14H2,1-2H3,(H,25,27)/b16-11+