N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C15H10N4O5S MolecularWeight: 358.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O5S/c1-8-2-3-12-13(4-8)25-15(16-12)17-14(20)9-5-10(18(21)22)7-11(6-9)19(23)24/h2-7H,1H3,(H,16,17,20)