1-(2-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-(o-tolyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1-(o-tolyl)pyrrolidine-3-carboxamide Formula: C19H16N4O4S MolecularWeight: 396.41974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-11-4-2-3-5-15(11)22-10-12(8-17(22)24)18(25)21-19-20-14-7-6-13(23(26)27)9-16(14)28-19/h2-7,9,12H,8,10H2,1H3,(H,20,21,25)