N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C16H12N4O6S MolecularWeight: 388.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NC3=C(C=CC=C3S2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NC3=C(C=CC=C3S2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S/c1-8-10(19(22)23)6-9(7-11(8)20(24)25)15(21)18-16-17-14-12(26-2)4-3-5-13(14)27-16/h3-7H,1-2H3,(H,17,18,21)