O3-ethyl O8-methyl 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,8-dicarboxylate

Systemtic Name: O3-ethyl O8-methyl 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,8-dicarboxylate Openeye Name: O3-ethyl O8-methyl 4-(3-bromo-4-methyl-anilino)quinoline-3,8-dicarboxylate CAS Name: 4-(3-bromo-4-methylanilino)quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester IUPAC Name: 3-O-ethyl 8-O-methyl 4-(3-bromo-4-methylanilino)quinoline-3,8-dicarboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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