3-(2,5-dimethoxyphenyl)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide Traditional Name: 3-(2,5-dimethoxyphenyl)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propionamide Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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