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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-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)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-24-15-9-12(13(20(22)23)10-16(15)25-2)18(21)19-11-4-5-14-17(8-11)27-7-3-6-26-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,21)