2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol bromide

Systemtic Name: 2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol bromide Openeye Name: 2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol bromide CAS Name: 2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol bromide IUPAC Name: 2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol bromide Traditional Name: 2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol bromide Formula: C12H17BrN2O4 MolecularWeight: 333.17838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOC2=C(C1)C=CC=C2[N+](=O)[O-])CCO.[Br-]

Isomeric SMILES

C[N+]1(CCOC2=C(C1)C=CC=C2[N+](=O)[O-])CCO.[Br-]

InChI

InChI=1S/C12H17N2O4.BrH/c1-14(5-7-15)6-8-18-12-10(9-14)3-2-4-11(12)13(16)17;/h2-4,15H,5-9H2,1H3;1H/q+1;/p-1