(Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-oxidanylidenepyrrolidin-1-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-oxidanylidenepyrrolidin-1-yl)prop-2-enenitrile Openeye Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile CAS Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-oxo-1-pyrrolidinyl)-2-propenenitrile IUPAC Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile Traditional Name: (Z)-3-(homoveratrylamino)-2-(2-ketopyrrolidino)acrylonitrile Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC=C(C#N)N2CCCC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN/C=C(/C#N)\N2CCCC2=O)OC

InChI

InChI=1S/C17H21N3O3/c1-22-15-6-5-13(10-16(15)23-2)7-8-19-12-14(11-18)20-9-3-4-17(20)21/h5-6,10,12,19H,3-4,7-9H2,1-2H3/b14-12-