ethyl 3-[3,4-bis(fluoranyl)phenyl]-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-[3,4-bis(fluoranyl)phenyl]-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(3,4-difluorophenyl)-2-(4-methoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-difluorophenyl)-2-(4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-(3,4-difluorophenyl)-4-nitro-2-p-anisoyl-butyric acid ethyl ester Formula: C20H19F2NO6 MolecularWeight: 407.364766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)F)F)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)F)F)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H19F2NO6/c1-3-29-20(25)18(19(24)12-4-7-14(28-2)8-5-12)15(11-23(26)27)13-6-9-16(21)17(22)10-13/h4-10,15,18H,3,11H2,1-2H3