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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-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-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO5/c1-27-18-6-3-2-5-14(18)7-10-19(24)28-12-4-11-23-20(25)16-9-8-15(22)13-17(16)21(23)26/h2-3,5-10,13H,4,11-12H2,1H3/b10-7+