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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-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-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C25H23BrN2O5/c1-2-3-12-32-20-8-5-17(6-9-20)14-18(16-27)25(31)33-13-4-11-28-23(29)21-10-7-19(26)15-22(21)24(28)30/h5-10,14-15H,2-4,11-13H2,1H3/b18-14+