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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-homopiperonyl-4,5-dimethoxy-2-nitro-benzamide Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-24-15-8-12(13(20(22)23)9-16(15)25-2)18(21)19-6-5-11-3-4-14-17(7-11)27-10-26-14/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,21)