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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6/c1-12-9-14(4-5-15(12)19(21)22)25-11-16(20)13-3-6-17-18(10-13)24-8-2-7-23-17/h3-6,9-10H,2,7-8,11H2,1H3