12-bromanyl-5-oxidanidyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium

Systemtic Name: 12-bromanyl-5-oxidanidyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium Openeye Name: 12-bromo-5-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium CAS Name: 12-bromo-5-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium IUPAC Name: 12-bromo-5-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium Traditional Name: 12-bromo-5-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium Formula: C14H11BrN2O MolecularWeight: 303.15394

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2[N+](=NC3=CC=CC=C31)[O-])Br

Isomeric SMILES

C1C(C2=CC=CC=C2[N+](=NC3=CC=CC=C31)[O-])Br

InChI

InChI=1S/C14H11BrN2O/c15-12-9-10-5-1-3-7-13(10)16-17(18)14-8-4-2-6-11(12)14/h1-8,12H,9H2