[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(3,5-dichloroanilino)-2-keto-ethyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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