methanesulfonate; (8-nitro-2-oxidanylidene-1-phenyl-3H-1,5-benzodiazepin-4-yl)azanium

Systemtic Name: methanesulfonate; (8-nitro-2-oxidanylidene-1-phenyl-3H-1,5-benzodiazepin-4-yl)azanium Openeye Name: methanesulfonate; (8-nitro-2-oxo-1-phenyl-3H-1,5-benzodiazepin-4-yl)ammonium CAS Name: methanesulfonate; (8-nitro-2-oxo-1-phenyl-3H-1,5-benzodiazepin-4-yl)ammonium IUPAC Name: methanesulfonate; (8-nitro-2-oxo-1-phenyl-3H-1,5-benzodiazepin-4-yl)azanium Traditional Name: (2-keto-8-nitro-1-phenyl-3H-1,5-benzodiazepin-4-yl)ammonium mesylate Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C3=CC=CC=C3)[NH3+]

Isomeric SMILES

CS(=O)(=O)[O-].C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C15H12N4O3.CH4O3S/c16-14-9-15(20)18(10-4-2-1-3-5-10)13-8-11(19(21)22)6-7-12(13)17-14;1-5(2,3)4/h1-8H,9H2,(H2,16,17);1H3,(H,2,3,4)