[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-(3,4-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(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

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

InChI

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