N-(1,3-benzothiazol-2-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C17H10N4O5S MolecularWeight: 382.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O5S/c22-13(19-17-18-10-5-1-2-7-12(10)27-17)8-20-15(23)9-4-3-6-11(21(25)26)14(9)16(20)24/h1-7H,8H2,(H,18,19,22)