[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13BrF2N2O6 MolecularWeight: 459.195726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)COC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)COC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C17H13BrF2N2O6/c1-9(17(24)21-11-3-4-13(20)14(7-11)22(25)26)28-16(23)8-27-15-5-2-10(19)6-12(15)18/h2-7,9H,8H2,1H3,(H,21,24)