N-(cyanomethyl)-4-methyl-N,3-dinitro-benzenesulfonamide

Systemtic Name: N-(cyanomethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Openeye Name: N-(cyanomethyl)-4-methyl-N,3-dinitro-benzenesulfonamide CAS Name: N-(cyanomethyl)-4-methyl-N,3-dinitrobenzenesulfonamide IUPAC Name: N-(cyanomethyl)-4-methyl-N,3-dinitrobenzenesulfonamide Traditional Name: N-(cyanomethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Formula: C9H8N4O6S MolecularWeight: 300.24802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O6S/c1-7-2-3-8(6-9(7)12(14)15)20(18,19)11(5-4-10)13(16)17/h2-3,6H,5H2,1H3