[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O7/c1-26-16-9-13(10-17(11-16)27-2)3-8-19(23)28-12-18(22)20-14-4-6-15(7-5-14)21(24)25/h4-7,9-11H,3,8,12H2,1-2H3,(H,20,22)