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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C14H17FN2O5 MolecularWeight: 312.293583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN2O5/c1-14(2,3)7-13(19)22-8-12(18)16-9-4-5-10(15)11(6-9)17(20)21/h4-6H,7-8H2,1-3H3,(H,16,18)