N-(2-methoxy-4-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C16H13N3O7S MolecularWeight: 391.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H13N3O7S/c1-26-13-8-10(19(22)23)6-7-12(13)17-15(20)9-18-16(21)11-4-2-3-5-14(11)27(18,24)25/h2-8H,9H2,1H3,(H,17,20)