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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C16H10N4O6S MolecularWeight: 386.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O6S/c17-8-10-7-11(20(23)24)5-6-13(10)18-15(21)9-19-16(22)12-3-1-2-4-14(12)27(19,25)26/h1-7H,9H2,(H,18,21)