4-(3-chlorophenyl)carbonyl-1-(3-fluorophenyl)carbonyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(3-fluorophenyl)carbonyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(3-fluorobenzoyl)-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[(3-fluorophenyl)-oxomethyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(3-fluorobenzoyl)-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(3-fluorobenzoyl)-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C29H20ClFN2O6S MolecularWeight: 578.995303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(C(N2C(=O)C3=CC(=CC=C3)F)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(C(N2C(=O)C3=CC(=CC=C3)F)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H20ClFN2O6S/c30-19-8-1-6-17(13-19)27(34)24-23(22-11-4-12-40-22)26(29(36)37)32(28(35)18-7-2-9-20(31)14-18)25(24)16-5-3-10-21(15-16)33(38)39/h1-15,23-26H,(H,36,37)