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

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C24H28FN3O6 MolecularWeight: 473.494023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN3O6/c1-14(2)21(27-22(30)15-6-8-16(9-7-15)24(3,4)5)23(31)34-13-20(29)26-19-12-17(28(32)33)10-11-18(19)25/h6-12,14,21H,13H2,1-5H3,(H,26,29)(H,27,30)