N'-(4,6-dimethylpyrimidin-2-yl)-3-nitro-4-oxidanyl-benzenesulfonohydrazide

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-3-nitro-4-oxidanyl-benzenesulfonohydrazide Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-nitro-benzenesulfonohydrazide CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-4-hydroxy-3-nitrobenzenesulfonohydrazide IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-nitrobenzenesulfonohydrazide Traditional Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-nitro-benzenesulfonohydrazide Formula: C12H13N5O5S MolecularWeight: 339.32712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NNS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N5O5S/c1-7-5-8(2)14-12(13-7)15-16-23(21,22)9-3-4-11(18)10(6-9)17(19)20/h3-6,16,18H,1-2H3,(H,13,14,15)