[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H23FN2O6/c1-13(30-16-8-5-14(6-9-16)21(2,3)4)20(26)29-12-19(25)23-18-11-15(24(27)28)7-10-17(18)22/h5-11,13H,12H2,1-4H3,(H,23,25)/t13-/m1/s1