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

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C17H15N3O7S MolecularWeight: 405.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7S/c1-2-27-11-7-8-13(14(9-11)20(23)24)18-16(21)10-19-17(22)12-5-3-4-6-15(12)28(19,25)26/h3-9H,2,10H2,1H3,(H,18,21)