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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H20BrNO5/c1-2-28-17-8-4-15(5-9-17)6-11-20(25)29-13-3-12-24-21(26)18-10-7-16(23)14-19(18)22(24)27/h4-11,14H,2-3,12-13H2,1H3/b11-6+