N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C19H13N5O6S MolecularWeight: 439.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O6S/c1-9(25)20-10-2-5-14-15(6-10)31-19(21-14)22-16(26)8-23-17(27)12-4-3-11(24(29)30)7-13(12)18(23)28/h2-7H,8H2,1H3,(H,20,25)(H,21,22,26)