2-[4-[(4-azanyl-2-methoxy-5-methyl-phenyl)diazenyl]phenyl]-6-bromanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[(4-azanyl-2-methoxy-5-methyl-phenyl)diazenyl]phenyl]-6-bromanyl-quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-amino-2-methoxy-5-methyl-phenyl)azophenyl]-6-bromo-quinoline-4-carboxylic acid CAS Name: 2-[4-(4-amino-2-methoxy-5-methylphenyl)azophenyl]-6-bromo-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(4-amino-2-methoxy-5-methylphenyl)diazenyl]phenyl]-6-bromoquinoline-4-carboxylic acid Traditional Name: 2-[4-(4-amino-2-methoxy-5-methyl-phenyl)azophenyl]-6-bromo-cinchoninic acid Formula: C24H19BrN4O3 MolecularWeight: 491.33666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)OC)N=NC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N)OC)N=NC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C24H19BrN4O3/c1-13-9-22(23(32-2)12-19(13)26)29-28-16-6-3-14(4-7-16)21-11-18(24(30)31)17-10-15(25)5-8-20(17)27-21/h3-12H,26H2,1-2H3,(H,30,31)