diethyl 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(3-bromo-4-methyl-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-4-28-21(26)14-7-9-19-16(10-14)20(17(12-24-19)22(27)29-5-2)25-15-8-6-13(3)18(23)11-15/h6-12H,4-5H2,1-3H3,(H,24,25)