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

Systemtic Name: 2-ethylhexyl 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoate Openeye Name: 2-ethylhexyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetate CAS Name: 2-[5-fluoro-2-[[(3-nitrophenyl)methylamino]-oxomethyl]phenoxy]acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetate Traditional Name: 2-[5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy]acetic acid 2-ethylhexyl ester Formula: C24H29FN2O6 MolecularWeight: 460.495263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O6/c1-3-5-7-17(4-2)15-33-23(28)16-32-22-13-19(25)10-11-21(22)24(29)26-14-18-8-6-9-20(12-18)27(30)31/h6,8-13,17H,3-5,7,14-16H2,1-2H3,(H,26,29)