ethyl 2-cyano-2-[1-cyano-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[1-cyano-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]ethanoate Openeye Name: ethyl 2-(2-benzyl-1-cyano-3-oxo-isoindolin-1-yl)-2-cyano-acetate CAS Name: 2-cyano-2-[1-cyano-3-oxo-2-(phenylmethyl)-1-isoindolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzyl-1-cyano-3-oxoisoindol-1-yl)-2-cyanoacetate Traditional Name: 2-(2-benzyl-1-cyano-3-keto-isoindolin-1-yl)-2-cyano-acetic acid ethyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N3O3/c1-2-27-20(26)18(12-22)21(14-23)17-11-7-6-10-16(17)19(25)24(21)13-15-8-4-3-5-9-15/h3-11,18H,2,13H2,1H3