2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide

Systemtic Name: 2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Openeye Name: 2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide CAS Name: 2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)-1-pyrrolidinecarboxamide IUPAC Name: 2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Traditional Name: 2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Formula: C24H19FN4O4 MolecularWeight: 446.430463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C24H19FN4O4/c25-17-4-1-3-15(13-17)16-6-11-22-20(14-16)27-23(33-22)21-5-2-12-28(21)24(30)26-18-7-9-19(10-8-18)29(31)32/h1,3-4,6-11,13-14,21H,2,5,12H2,(H,26,30)