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

Systemtic Name: 4-bromanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-nitro-benzamide Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5/c1-12(2)19(13-5-7-17-18(11-13)28-9-3-8-27-17)22-20(24)14-4-6-15(21)16(10-14)23(25)26/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,22,24)