[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,6-dichloroanilino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(2,6-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2,6-dichloroanilino)-2-keto-ethyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-3-16-12(2)19(13-7-4-5-10-17(13)24-16)21(27)28-11-18(26)25-20-14(22)8-6-9-15(20)23/h4-10H,3,11H2,1-2H3,(H,25,26)