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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3,4-dimethoxy-2-nitro-phenyl)ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3,4-dimethoxy-2-nitro-phenyl)acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3,4-dimethoxy-2-nitrophenyl)acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3,4-dimethoxy-2-nitrophenyl)acetamide Traditional Name: 2-(3,4-dimethoxy-2-nitro-phenyl)-N-homopiperonyl-acetamide Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O7/c1-25-15-6-4-13(18(21(23)24)19(15)26-2)10-17(22)20-8-7-12-3-5-14-16(9-12)28-11-27-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,22)