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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c23-14(19-8-15-20-11-5-1-2-7-13(11)28-15)9-21-17(24)10-4-3-6-12(22(26)27)16(10)18(21)25/h1-7H,8-9H2,(H,19,23)