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

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H14N4O6S/c1-16(2)6-11-13(12(21)7-16)27-15(17-11)18-14(22)8-3-9(19(23)24)5-10(4-8)20(25)26/h3-5H,6-7H2,1-2H3,(H,17,18,22)