6-bromanyl-2-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinoline-3-carboxylic acid Openeye Name: 6-bromo-2-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]quinoline-3-carboxylic acid CAS Name: 6-bromo-2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-3-carboxylic acid Traditional Name: 6-bromo-2-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]quinoline-3-carboxylic acid Formula: C18H13BrCl2N2O3 MolecularWeight: 456.11742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC3=C2C=C(C=C3)Br)Cl)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC3=C2C=C(C=C3)Br)Cl)C(=O)O)Cl

InChI

InChI=1S/C18H13BrCl2N2O3/c1-26-14-5-2-9(6-12(14)20)8-22-16-11-7-10(19)3-4-13(11)23-17(21)15(16)18(24)25/h2-7H,8H2,1H3,(H,22,23)(H,24,25)