N-[4,5-dimethyl-1,1,3-tris(oxidanylidene)-1,2-thiazol-2-yl]-2-nitro-benzamide

Systemtic Name: N-[4,5-dimethyl-1,1,3-tris(oxidanylidene)-1,2-thiazol-2-yl]-2-nitro-benzamide Openeye Name: N-(4,5-dimethyl-1,1,3-trioxo-isothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(4,5-dimethyl-1,1,3-trioxo-2-isothiazolyl)-2-nitrobenzamide IUPAC Name: N-(4,5-dimethyl-1,1,3-trioxo-1,2-thiazol-2-yl)-2-nitrobenzamide Traditional Name: 2-nitro-N-(1,1,3-triketo-4,5-dimethyl-isothiazol-2-yl)benzamide Formula: C12H11N3O6S MolecularWeight: 325.29724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S(=O)(=O)N(C1=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(S(=O)(=O)N(C1=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C12H11N3O6S/c1-7-8(2)22(20,21)14(12(7)17)13-11(16)9-5-3-4-6-10(9)15(18)19/h3-6H,1-2H3,(H,13,16)