N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O8/c1-26-16-11-13(17(22(24)25)19(28-3)18(16)27-2)20(23)21-7-6-12-4-5-14-15(10-12)30-9-8-29-14/h4-5,10-11H,6-9H2,1-3H3,(H,21,23)