[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H22N2O7/c1-13(20(24)21-15-6-4-5-7-16(15)22(25)26)29-19(23)11-9-14-8-10-17(27-2)18(12-14)28-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,24)/t13-/m1/s1