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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C14H8N4O5S MolecularWeight: 344.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8N4O5S/c19-13(16-14-15-10-3-1-2-4-12(10)24-14)9-6-5-8(17(20)21)7-11(9)18(22)23/h1-7H,(H,15,16,19)