4-methyl-N,3-dinitro-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)benzenesulfonamide

Systemtic Name: 4-methyl-N,3-dinitro-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)benzenesulfonamide Openeye Name: 4-methyl-N,3-dinitro-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)benzenesulfonamide CAS Name: 4-methyl-N,3-dinitro-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)benzenesulfonamide IUPAC Name: 4-methyl-N,3-dinitro-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)benzenesulfonamide Traditional Name: 4-methyl-N,3-dinitro-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)benzenesulfonamide Formula: C9H8N7O6S- MolecularWeight: 342.26812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=NN=N[N-]2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=NN=N[N-]2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N7O6S/c1-6-2-3-7(4-8(6)15(17)18)23(21,22)14(16(19)20)5-9-10-12-13-11-9/h2-4H,5H2,1H3/q-1