[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO7/c1-13-4-6-15(10-18(13)21(24)25)19(22)12-28-20(23)7-5-14-8-16(26-2)11-17(9-14)27-3/h4,6,8-11H,5,7,12H2,1-3H3