4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitro-benzamide Openeye Name: 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitro-benzamide CAS Name: 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitrobenzamide Traditional Name: 4-(dimethylamino)-N-(2-methylol-1,3-benzothiazol-5-yl)-3,5-dinitro-benzamide Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)SC(=N3)CO)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)SC(=N3)CO)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O6S/c1-20(2)16-12(21(25)26)5-9(6-13(16)22(27)28)17(24)18-10-3-4-14-11(7-10)19-15(8-23)29-14/h3-7,23H,8H2,1-2H3,(H,18,24)