ethyl 2-cyano-2-(1-cyano-2-methyl-3-oxidanylidene-5-phenyl-isoindol-1-yl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(1-cyano-2-methyl-3-oxidanylidene-5-phenyl-isoindol-1-yl)ethanoate Openeye Name: ethyl 2-cyano-2-(1-cyano-2-methyl-3-oxo-5-phenyl-isoindolin-1-yl)acetate CAS Name: 2-cyano-2-(1-cyano-2-methyl-3-oxo-5-phenyl-1-isoindolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(1-cyano-2-methyl-3-oxo-5-phenylisoindol-1-yl)acetate Traditional Name: 2-cyano-2-(1-cyano-3-keto-2-methyl-5-phenyl-isoindolin-1-yl)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=C(C=C(C=C2)C3=CC=CC=C3)C(=O)N1C)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=C(C=C(C=C2)C3=CC=CC=C3)C(=O)N1C)C#N

InChI

InChI=1S/C21H17N3O3/c1-3-27-20(26)18(12-22)21(13-23)17-10-9-15(14-7-5-4-6-8-14)11-16(17)19(25)24(21)2/h4-11,18H,3H2,1-2H3