4-[(3-bromanyl-4-methyl-phenyl)amino]-3-carboxy-quinoline-6-carboxylate

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)amino]-3-carboxy-quinoline-6-carboxylate Openeye Name: 4-(3-bromo-4-methyl-anilino)-3-carboxy-quinoline-6-carboxylate CAS Name: 4-(3-bromo-4-methylanilino)-3-carboxy-6-quinolinecarboxylate IUPAC Name: 4-(3-bromo-4-methylanilino)-3-carboxyquinoline-6-carboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)-3-carboxy-quinoline-6-carboxylate Formula: C18H12BrN2O4- MolecularWeight: 400.20288

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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)/p-1