3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-cyano-3-(4-propoxyphenyl)prop-2-enoate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-cyano-3-(4-propoxyphenyl)prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 2-cyano-3-(4-propoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-propoxyphenyl)-2-propenoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 2-cyano-3-(4-propoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-propoxyphenyl)acrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C24H21BrN2O5 MolecularWeight: 497.33794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C24H21BrN2O5/c1-2-11-31-19-7-4-16(5-8-19)13-17(15-26)24(30)32-12-3-10-27-22(28)20-9-6-18(25)14-21(20)23(27)29/h4-9,13-14H,2-3,10-12H2,1H3