ethyl (3R)-3-(4-fluorophenyl)-2-nitro-5-oxidanylidene-hexanoate

Systemtic Name: ethyl (3R)-3-(4-fluorophenyl)-2-nitro-5-oxidanylidene-hexanoate Openeye Name: ethyl (3R)-3-(4-fluorophenyl)-2-nitro-5-oxo-hexanoate CAS Name: (3R)-3-(4-fluorophenyl)-2-nitro-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(4-fluorophenyl)-2-nitro-5-oxohexanoate Traditional Name: (3R)-3-(4-fluorophenyl)-5-keto-2-nitro-hexanoic acid ethyl ester Formula: C14H16FNO5 MolecularWeight: 297.278943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C([C@H](CC(=O)C)C1=CC=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C14H16FNO5/c1-3-21-14(18)13(16(19)20)12(8-9(2)17)10-4-6-11(15)7-5-10/h4-7,12-13H,3,8H2,1-2H3/t12-,13?/m1/s1