(phenylmethyl) (2Z)-2-cyano-2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2,3-dihydroisoindol-1-ylidene]ethanoate

Systemtic Name: (phenylmethyl) (2Z)-2-cyano-2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2,3-dihydroisoindol-1-ylidene]ethanoate Openeye Name: benzyl (2Z)-2-cyano-2-[3-(2-ethoxy-2-oxo-ethyl)isoindolin-1-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[3-(2-ethoxy-2-oxoethyl)-2,3-dihydroisoindol-1-ylidene]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2Z)-2-cyano-2-[3-(2-ethoxy-2-oxoethyl)-2,3-dihydroisoindol-1-ylidene]acetate Traditional Name: (2Z)-2-cyano-2-[3-(2-ethoxy-2-keto-ethyl)isoindolin-1-ylidene]acetic acid benzyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=CC=CC=C2C(=C(C#N)C(=O)OCC3=CC=CC=C3)N1

Isomeric SMILES

CCOC(=O)CC1C2=CC=CC=C2/C(=C(\C#N)/C(=O)OCC3=CC=CC=C3)/N1

InChI

InChI=1S/C22H20N2O4/c1-2-27-20(25)12-19-16-10-6-7-11-17(16)21(24-19)18(13-23)22(26)28-14-15-8-4-3-5-9-15/h3-11,19,24H,2,12,14H2,1H3/b21-18-