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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5/c1-2-28-19-7-4-3-6-15(19)8-11-20(25)29-13-5-12-24-21(26)17-10-9-16(23)14-18(17)22(24)27/h3-4,6-11,14H,2,5,12-13H2,1H3/b11-8+