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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN2O5/c1-2-11-31-21-7-4-3-6-16(21)13-17(15-26)24(30)32-12-5-10-27-22(28)19-9-8-18(25)14-20(19)23(27)29/h3-4,6-9,13-14H,2,5,10-12H2,1H3/b17-13+