2-[2-chloranyl-4-(dimethylamino)phenyl]-6-iodanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[2-chloranyl-4-(dimethylamino)phenyl]-6-iodanyl-quinoline-4-carboxylic acid Openeye Name: 2-[2-chloro-4-(dimethylamino)phenyl]-6-iodo-quinoline-4-carboxylic acid CAS Name: 2-[2-chloro-4-(dimethylamino)phenyl]-6-iodo-4-quinolinecarboxylic acid IUPAC Name: 2-[2-chloro-4-(dimethylamino)phenyl]-6-iodoquinoline-4-carboxylic acid Traditional Name: 2-[2-chloro-4-(dimethylamino)phenyl]-6-iodo-cinchoninic acid Formula: C18H14ClIN2O2 MolecularWeight: 452.67343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=C2)C(=O)O)Cl

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=C2)C(=O)O)Cl

InChI

InChI=1S/C18H14ClIN2O2/c1-22(2)11-4-5-12(15(19)8-11)17-9-14(18(23)24)13-7-10(20)3-6-16(13)21-17/h3-9H,1-2H3,(H,23,24)