N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methyl-3,5-dinitro-benzamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methyl-3,5-dinitro-benzamide Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c1-8-10(4-9(20(24)25)5-12(8)21(26)27)15(23)19-16-18-11-6-17(2,3)7-13(22)14(11)28-16/h4-5H,6-7H2,1-3H3,(H,18,19,23)