butyl 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoate

Systemtic Name: butyl 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoate Openeye Name: butyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetate CAS Name: 2-[5-fluoro-2-[[(3-nitrophenyl)methylamino]-oxomethyl]phenoxy]acetic acid butyl ester IUPAC Name: butyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetate Traditional Name: 2-[5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy]acetic acid butyl ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=C(C=CC(=C1)F)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)COC1=C(C=CC(=C1)F)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O6/c1-2-3-9-28-19(24)13-29-18-11-15(21)7-8-17(18)20(25)22-12-14-5-4-6-16(10-14)23(26)27/h4-8,10-11H,2-3,9,12-13H2,1H3,(H,22,25)