diethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(3-chloro-4-fluoro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-chloro-4-fluoroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O4/c1-3-28-20(26)12-5-8-18-14(9-12)19(15(11-24-18)21(27)29-4-2)25-13-6-7-17(23)16(22)10-13/h5-11H,3-4H2,1-2H3,(H,24,25)