(E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-isopropyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-homoveratryl-3-(4-isopropyl-3-nitro-phenyl)acrylamide Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-15(2)19-7-5-17(12-20(19)26(28)29)11-18(14-24)23(27)25-10-9-16-6-8-21(30-3)22(13-16)31-4/h5-8,11-13,15H,9-10H2,1-4H3,(H,25,27)/b18-11+