(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-pyrrolidino-phenyl)acrylamide Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])/C#N)OC

InChI

InChI=1S/C22H22N4O5/c1-30-20-8-6-17(13-21(20)31-2)24-22(27)16(14-23)11-15-5-7-18(19(12-15)26(28)29)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,27)/b16-11+