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

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]ethanamide Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide CAS Name: 2-(4-chloro-2-nitrophenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN2O6/c1-13(2)21(14-4-6-18-19(10-14)29-9-3-8-28-18)23-20(25)12-30-17-7-5-15(22)11-16(17)24(26)27/h4-7,10-11,13,21H,3,8-9,12H2,1-2H3,(H,23,25)