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

Systemtic Name: 2-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C16H11ClN4O5S MolecularWeight: 406.80034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H11ClN4O5S/c1-7-3-8(2)14-12(4-7)27-16(18-14)19-15(22)10-5-9(20(23)24)6-11(13(10)17)21(25)26/h3-6H,1-2H3,(H,18,19,22)