3-(4-cyanophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide

Systemtic Name: 3-(4-cyanophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide Openeye Name: 3-(4-cyanophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide CAS Name: 3-(4-cyanophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide IUPAC Name: 3-(4-cyanophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide Traditional Name: 3-(4-cyanophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propionamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O5/c1-27-18-11-16(17(23(25)26)12-19(18)28-2)9-10-22-20(24)8-7-14-3-5-15(13-21)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,24)