8-bromanyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 8-bromanyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-bromo-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-bromo-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-bromo-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-bromo-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C17H12BrN3O MolecularWeight: 354.20068

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC=CN2C3=C(C=C(C=C3)Br)C(=[N+]1[O-])C4=CC=CC=C4

Isomeric SMILES

C1C2=NC=CN2C3=C(C=C(C=C3)Br)C(=[N+]1[O-])C4=CC=CC=C4

InChI

InChI=1S/C17H12BrN3O/c18-13-6-7-15-14(10-13)17(12-4-2-1-3-5-12)21(22)11-16-19-8-9-20(15)16/h1-10H,11H2