N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-nitro-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[(2-keto-2-pyrrolidino-ethyl)thio]-3-nitro-benzamide Formula: C19H17ClFN3O4S MolecularWeight: 437.872383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClFN3O4S/c20-13-4-5-15(14(21)10-13)22-19(26)12-3-6-17(16(9-12)24(27)28)29-11-18(25)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,22,26)