(Z,3S)-1-diazonio-4-methyl-3-[methyl-(4-nitrophenyl)sulfonyl-amino]pent-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-4-methyl-3-[methyl-(4-nitrophenyl)sulfonyl-amino]pent-1-en-2-olate Openeye Name: (Z,3S)-1-diazonio-4-methyl-3-[methyl-(4-nitrophenyl)sulfonyl-amino]pent-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-4-methyl-3-[methyl-(4-nitrophenyl)sulfonylamino]-1-penten-2-olate IUPAC Name: (Z,3S)-1-diazonio-4-methyl-3-[methyl-(4-nitrophenyl)sulfonylamino]pent-1-en-2-olate Traditional Name: (Z,3S)-1-diazonio-4-methyl-3-[methyl(nosyl)amino]pent-1-en-2-olate Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=C[N+]#N)[O-])N(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](/C(=C/[N+]#N)/[O-])N(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5S/c1-9(2)13(12(18)8-15-14)16(3)23(21,22)11-6-4-10(5-7-11)17(19)20/h4-9,13H,1-3H3/b12-8-/t13-/m0/s1