O3-ethyl O6-methyl 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(3-bromo-4-methyl-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4/c1-4-28-21(26)16-11-23-18-8-6-13(20(25)27-3)9-15(18)19(16)24-14-7-5-12(2)17(22)10-14/h5-11H,4H2,1-3H3,(H,23,24)