4-nitro-N-[(E)-1-(1-oxidanylidene-2H-pyridin-1-ium-2-yl)ethylideneamino]benzenesulfonamide

Systemtic Name: 4-nitro-N-[(E)-1-(1-oxidanylidene-2H-pyridin-1-ium-2-yl)ethylideneamino]benzenesulfonamide Openeye Name: 4-nitro-N-[(E)-1-(1-oxo-2H-pyridin-1-ium-2-yl)ethylideneamino]benzenesulfonamide CAS Name: 4-nitro-N-[(E)-1-(1-oxo-2H-pyridin-1-ium-2-yl)ethylideneamino]benzenesulfonamide IUPAC Name: 4-nitro-N-[(E)-1-(1-oxo-2H-pyridin-1-ium-2-yl)ethylideneamino]benzenesulfonamide Traditional Name: N-[(E)-1-(1-keto-2H-pyridin-1-ium-2-yl)ethylideneamino]-4-nitro-benzenesulfonamide Formula: C13H13N4O5S+ MolecularWeight: 337.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2C=CC=C[N+]2=O

Isomeric SMILES

C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C2C=CC=C[N+]2=O

InChI

InChI=1S/C13H13N4O5S/c1-10(13-4-2-3-9-16(13)18)14-15-23(21,22)12-7-5-11(6-8-12)17(19)20/h2-9,13,15H,1H3/q+1/b14-10+