[1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20Cl2N2O3 MolecularWeight: 431.3118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O3/c1-4-16-12(2)19(14-8-5-6-10-17(14)25-16)22(28)29-13(3)21(27)26-18-11-7-9-15(23)20(18)24/h5-11,13H,4H2,1-3H3,(H,26,27)