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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)hexanamide Formula: C21H17N5O7S MolecularWeight: 483.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O7S/c27-17(23-21-22-14-9-8-12(25(30)31)11-16(14)34-21)7-2-1-3-10-24-19(28)13-5-4-6-15(26(32)33)18(13)20(24)29/h4-6,8-9,11H,1-3,7,10H2,(H,22,23,27)