ethyl (Z)-2-cyano-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]but-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]but-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[4-(1-oxoisoindolin-2-yl)phenyl]but-2-enoate CAS Name: (Z)-2-cyano-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]but-2-enoate Traditional Name: (Z)-2-cyano-3-[4-(1-ketoisoindolin-2-yl)phenyl]but-2-enoic acid ethyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)/C#N

InChI

InChI=1S/C21H18N2O3/c1-3-26-21(25)19(12-22)14(2)15-8-10-17(11-9-15)23-13-16-6-4-5-7-18(16)20(23)24/h4-11H,3,13H2,1-2H3/b19-14-