4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,6-dicarboxylic acid

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)amino]quinoline-3,6-dicarboxylic acid Openeye Name: 4-(3-bromo-4-methyl-anilino)quinoline-3,6-dicarboxylic acid CAS Name: 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylic acid IUPAC Name: 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylic acid Traditional Name: 4-(3-bromo-4-methyl-anilino)quinoline-3,6-dicarboxylic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)O)C(=O)O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)O)C(=O)O)Br

InChI

InChI=1S/C18H13BrN2O4/c1-9-2-4-11(7-14(9)19)21-16-12-6-10(17(22)23)3-5-15(12)20-8-13(16)18(24)25/h2-8H,1H3,(H,20,21)(H,22,23)(H,24,25)