N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)acetamide Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-24-14-6-4-13(20(22)23)10-17(14)27-11-18(21)19-12-3-5-15-16(9-12)26-8-2-7-25-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,21)