3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-diethoxyphenyl)propanenitrile

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-diethoxyphenyl)propanenitrile Openeye Name: 3-(3,4-diethoxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanenitrile CAS Name: 3-(3,4-diethoxyphenyl)-3-(1,3-dioxo-2-isoindolyl)propanenitrile IUPAC Name: 3-(3,4-diethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanenitrile Traditional Name: 3-(3,4-diethoxyphenyl)-3-phthalimido-propionitrile Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3=CC=CC=C3C2=O)OCC

InChI

InChI=1S/C21H20N2O4/c1-3-26-18-10-9-14(13-19(18)27-4-2)17(11-12-22)23-20(24)15-7-5-6-8-16(15)21(23)25/h5-10,13,17H,3-4,11H2,1-2H3