N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O7/c1-12(13-5-6-16-19(9-13)29-8-4-7-28-16)21-20(23)14-10-17(26-2)18(27-3)11-15(14)22(24)25/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,23)