3-(3-ethoxy-4-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanenitrile

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanenitrile Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(1-oxoisoindolin-2-yl)propanenitrile CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanenitrile IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanenitrile Traditional Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(1-ketoisoindolin-2-yl)propionitrile Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H20N2O3/c1-3-25-19-12-14(8-9-18(19)24-2)17(10-11-21)22-13-15-6-4-5-7-16(15)20(22)23/h4-9,12,17H,3,10,13H2,1-2H3