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

Systemtic Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)-N-homoveratryl-acrylamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-4-17-7-5-16(12-19(17)25(27)28)11-18(14-23)22(26)24-10-9-15-6-8-20(29-2)21(13-15)30-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,24,26)/b18-11+