N-(2,1,3-benzothiadiazol-4-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-piazthiol-4-yl-acetamide Formula: C16H9N5O5S MolecularWeight: 383.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O5S/c22-13(17-11-2-1-3-12-14(11)19-27-18-12)7-20-15(23)9-5-4-8(21(25)26)6-10(9)16(20)24/h1-6H,7H2,(H,17,22)