3-(1,3-benzodioxol-5-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propionamide Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O7/c1-26-17-10-14(15(22(24)25)11-18(17)27-2)7-8-21-20(23)6-4-13-3-5-16-19(9-13)29-12-28-16/h3,5,9-11H,4,6-8,12H2,1-2H3,(H,21,23)