ethyl 3-(4-methoxyphenyl)-4-nitro-2-(phenylcarbonyl)butanoate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4-nitro-2-(phenylcarbonyl)butanoate Openeye Name: ethyl 2-benzoyl-3-(4-methoxyphenyl)-4-nitro-butanoate CAS Name: 2-benzoyl-3-(4-methoxyphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-3-(4-methoxyphenyl)-4-nitrobutanoate Traditional Name: 2-benzoyl-3-(4-methoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-3-27-20(23)18(19(22)15-7-5-4-6-8-15)17(13-21(24)25)14-9-11-16(26-2)12-10-14/h4-12,17-18H,3,13H2,1-2H3