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

Systemtic Name: N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C18H11ClN4O6S MolecularWeight: 446.82114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11ClN4O6S/c1-29-13-6-14-12(5-11(13)19)20-18(30-14)21-15(24)7-22-16(25)9-3-2-8(23(27)28)4-10(9)17(22)26/h2-6H,7H2,1H3,(H,20,21,24)