(3S)-1-butyl-N-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-butyl-N-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-butyl-N-[4-[(4-fluoro-3-nitro-phenyl)carbamoyl]phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-butyl-N-[4-[(4-fluoro-3-nitroanilino)-oxomethyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-butyl-N-[4-[(4-fluoro-3-nitrophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-butyl-N-[4-[(4-fluoro-3-nitro-phenyl)carbamoyl]phenyl]-5-keto-pyrrolidine-3-carboxamide Formula: C22H23FN4O5 MolecularWeight: 442.440223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C[C@H](CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN4O5/c1-2-3-10-26-13-15(11-20(26)28)22(30)24-16-6-4-14(5-7-16)21(29)25-17-8-9-18(23)19(12-17)27(31)32/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,24,30)(H,25,29)/t15-/m0/s1