N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H14N4O5S/c1-9-5-10(2)16-14(6-9)29-19(21-16)20-15(24)8-22-17(25)12-4-3-11(23(27)28)7-13(12)18(22)26/h3-7H,8H2,1-2H3,(H,20,21,24)