4-methyl-3,5-dinitro-N-[2-(6-oxidanylidenepyridazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-3,5-dinitro-N-[2-(6-oxidanylidenepyridazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-methyl-3,5-dinitro-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-methyl-3,5-dinitro-N-[2-(6-oxo-1-pyridazinyl)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-3,5-dinitro-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[2-(6-ketopyridazin-1-yl)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C13H13N5O7S MolecularWeight: 383.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCN2C(=O)C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCN2C(=O)C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O7S/c1-9-11(17(20)21)7-10(8-12(9)18(22)23)26(24,25)15-5-6-16-13(19)3-2-4-14-16/h2-4,7-8,15H,5-6H2,1H3