[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c20-19(25)12-3-8-16(15(10-12)22(26)27)29-11-18(24)28-14-6-4-13(5-7-14)21-9-1-2-17(21)23/h3-8,10H,1-2,9,11H2,(H2,20,25)