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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O5/c1-13(2,3)12(18)21-7-11(17)15-8-4-5-9(14)10(6-8)16(19)20/h4-6H,7H2,1-3H3,(H,15,17)