diethyl 4-[(2-cyanophenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(2-cyanophenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(2-cyanoanilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-cyanoanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-cyanoanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-cyanoanilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H19N3O4/c1-3-28-21(26)14-9-10-19-16(11-14)20(17(13-24-19)22(27)29-4-2)25-18-8-6-5-7-15(18)12-23/h5-11,13H,3-4H2,1-2H3,(H,24,25)