5-nitro-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-anilinothiazol-4-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-anilino-4-thiazolyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2-anilinothiazol-4-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H12N4O4S MolecularWeight: 380.37728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c23-16-14-7-6-13(22(25)26)8-15(14)17(24)21(16)9-12-10-27-18(20-12)19-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)