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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c1-9-19-12-6-5-10(7-14(12)28-9)20-15(23)8-21-17(24)11-3-2-4-13(22(26)27)16(11)18(21)25/h2-7H,8H2,1H3,(H,20,23)