[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate

Systemtic Name: [1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18Cl2N2O3/c1-13(21(27)25-19-12-15(22)7-10-17(19)23)28-20(26)11-9-16-8-6-14-4-2-3-5-18(14)24-16/h2-8,10,12-13H,9,11H2,1H3,(H,25,27)