N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H20N2O8/c1-25-15-10-12(16(21(23)24)18(27-3)17(15)26-2)19(22)20-11-5-6-13-14(9-11)29-8-4-7-28-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,22)