tert-butyl 2-[4-azanyl-2-[4-(2-fluorophenyl)phenoxy]-5-nitro-phenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-azanyl-2-[4-(2-fluorophenyl)phenoxy]-5-nitro-phenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-amino-2-[4-(2-fluorophenyl)phenoxy]-5-nitro-phenyl]pyrrolidine-1-carboxylate CAS Name: 2-[4-amino-2-[4-(2-fluorophenyl)phenoxy]-5-nitrophenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-amino-2-[4-(2-fluorophenyl)phenoxy]-5-nitrophenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-amino-2-[4-(2-fluorophenyl)phenoxy]-5-nitro-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H28FN3O5 MolecularWeight: 493.526723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=CC(=C(C=C2OC3=CC=C(C=C3)C4=CC=CC=C4F)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=CC(=C(C=C2OC3=CC=C(C=C3)C4=CC=CC=C4F)N)[N+](=O)[O-]

InChI

InChI=1S/C27H28FN3O5/c1-27(2,3)36-26(32)30-14-6-9-23(30)20-15-24(31(33)34)22(29)16-25(20)35-18-12-10-17(11-13-18)19-7-4-5-8-21(19)28/h4-5,7-8,10-13,15-16,23H,6,9,14,29H2,1-3H3