2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl (E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-2-propenoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)acrylic acid 2-phthalimidoethyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H18BrNO5/c1-2-27-18-9-8-15(22)13-14(18)7-10-19(24)28-12-11-23-20(25)16-5-3-4-6-17(16)21(23)26/h3-10,13H,2,11-12H2,1H3/b10-7+