diethyl 4-[(3-chlorophenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(3-chlorophenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(3-chloroanilino)quinoline-3,6-dicarboxylate CAS Name: 4-(3-chloroanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-chloroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(3-chloroanilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-3-27-20(25)13-8-9-18-16(10-13)19(17(12-23-18)21(26)28-4-2)24-15-7-5-6-14(22)11-15/h5-12H,3-4H2,1-2H3,(H,23,24)