[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 2-(pivaloylamino)propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C16H20FN3O6 MolecularWeight: 369.344903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O6/c1-9(18-15(23)16(2,3)4)14(22)26-8-13(21)19-10-5-6-11(17)12(7-10)20(24)25/h5-7,9H,8H2,1-4H3,(H,18,23)(H,19,21)