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

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

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