7-chloranyl-3-fluoranyl-1-methyl-1-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 7-chloranyl-3-fluoranyl-1-methyl-1-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one Openeye Name: 7-chloro-3-fluoro-1-methyl-1-oxido-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one CAS Name: 7-chloro-3-fluoro-1-methyl-1-oxido-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 7-chloro-3-fluoro-1-methyl-1-oxido-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one Traditional Name: 7-chloro-3-fluoro-1-methyl-1-oxido-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one Formula: C16H12ClFN2O2 MolecularWeight: 318.730083

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)Cl)C(=NC(C1=O)F)C3=CC=CC=C3)[O-]

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)Cl)C(=NC(C1=O)F)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H12ClFN2O2/c1-20(22)13-8-7-11(17)9-12(13)14(19-15(18)16(20)21)10-5-3-2-4-6-10/h2-9,15H,1H3