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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-oxidanyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-hydroxy-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-(6-hydroxy-1,3-benzothiazol-2-yl)acetamide Formula: C17H10N4O6S MolecularWeight: 398.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10N4O6S/c22-9-2-4-12-13(6-9)28-17(18-12)19-14(23)7-20-15(24)10-3-1-8(21(26)27)5-11(10)16(20)25/h1-6,22H,7H2,(H,18,19,23)