2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid 2-phthalimidoethyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H16N2O5/c1-27-16-6-4-5-14(12-16)11-15(13-22)21(26)28-10-9-23-19(24)17-7-2-3-8-18(17)20(23)25/h2-8,11-12H,9-10H2,1H3/b15-11+