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

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

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H13N3O6S/c1-10(15(20)17-11-5-4-6-12(9-11)19(22)23)18-16(21)13-7-2-3-8-14(13)26(18,24)25/h2-10H,1H3,(H,17,20)