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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-methyl-4-nitro-phenoxy)ethanamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-methyl-4-nitro-phenoxy)acetamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-methyl-4-nitrophenoxy)acetamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-methyl-4-nitrophenoxy)acetamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-methyl-4-nitro-phenoxy)acetamide Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-14(2)22(16-5-8-19-20(12-16)29-10-4-9-28-19)23-21(25)13-30-17-6-7-18(24(26)27)15(3)11-17/h5-8,11-12,14,22H,4,9-10,13H2,1-3H3,(H,23,25)/t22-/m0/s1