(3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)N(CC#N)CC#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)N(CC#N)CC#N)OC

InChI

InChI=1S/C17H18N4O4/c1-24-13-3-4-14(15(10-13)25-2)21-11-12(9-16(21)22)17(23)20(7-5-18)8-6-19/h3-4,10,12H,7-9,11H2,1-2H3/t12-/m0/s1