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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-10-6-7-11(8-13(10)19(22)23)17-15(20)9-18-16(21)12-4-2-3-5-14(12)26(18,24)25/h2-8H,9H2,1H3,(H,17,20)