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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7/c1-23-15-6-4-13(19(21)22)10-18(15)26-11-14(20)12-3-5-16-17(9-12)25-8-2-7-24-16/h3-6,9-10H,2,7-8,11H2,1H3