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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-2-nitro-phenoxy)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-2-nitrophenoxy)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-2-nitro-phenoxy)acetamide Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-12-3-5-15(14(9-12)20(22)23)26-11-18(21)19-13-4-6-16-17(10-13)25-8-2-7-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,21)