N-(3-nitrophenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(3-nitrophenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(3-nitrophenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C16H13N3O6S MolecularWeight: 375.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c20-15(17-11-4-3-5-12(10-11)19(22)23)8-9-18-16(21)13-6-1-2-7-14(13)26(18,24)25/h1-7,10H,8-9H2,(H,17,20)