2-(5-methyl-2-propan-2-yl-phenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-13(2)15-6-5-14(3)9-18(15)29-12-21(24)22-16-10-19-20(11-17(16)23(25)26)28-8-4-7-27-19/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,22,24)