7-bromanyl-5-(2-chlorophenyl)-1-methyl-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: 7-bromanyl-5-(2-chlorophenyl)-1-methyl-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-one Openeye Name: 7-bromo-5-(2-chlorophenyl)-1-methyl-4-oxido-3H-1,4-benzodiazepin-4-ium-2-one CAS Name: 7-bromo-5-(2-chlorophenyl)-1-methyl-4-oxido-3H-1,4-benzodiazepin-4-ium-2-one IUPAC Name: 7-bromo-5-(2-chlorophenyl)-1-methyl-4-oxido-3H-1,4-benzodiazepin-4-ium-2-one Traditional Name: 7-bromo-5-(2-chlorophenyl)-1-methyl-4-oxido-3H-1,4-benzodiazepin-4-ium-2-one Formula: C16H12BrClN2O2 MolecularWeight: 379.63568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C[N+](=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl)[O-]

Isomeric SMILES

CN1C(=O)C[N+](=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl)[O-]

InChI

InChI=1S/C16H12BrClN2O2/c1-19-14-7-6-10(17)8-12(14)16(20(22)9-15(19)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3