O3-ethyl O6-methyl 4-[(5-acetamido-2-chloranyl-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[(5-acetamido-2-chloranyl-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(5-acetamido-2-chloro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(5-acetamido-2-chloroanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(5-acetamido-2-chloroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(5-acetamido-2-chloro-anilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=C(C=CC(=C3)NC(=O)C)Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=C(C=CC(=C3)NC(=O)C)Cl)C(=O)OC

InChI

InChI=1S/C22H20ClN3O5/c1-4-31-22(29)16-11-24-18-8-5-13(21(28)30-3)9-15(18)20(16)26-19-10-14(25-12(2)27)6-7-17(19)23/h5-11H,4H2,1-3H3,(H,24,26)(H,25,27)