[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C21H23FN2O5/c1-21(2,3)15-7-4-14(5-8-15)6-11-20(26)29-13-19(25)23-18-12-16(24(27)28)9-10-17(18)22/h4-5,7-10,12H,6,11,13H2,1-3H3,(H,23,25)