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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C17H9ClN4O5S MolecularWeight: 416.79516

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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)Cl

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)Cl

InChI

InChI=1S/C17H9ClN4O5S/c18-8-1-4-12-13(5-8)28-17(19-12)20-14(23)7-21-15(24)10-3-2-9(22(26)27)6-11(10)16(21)25/h1-6H,7H2,(H,19,20,23)