methyl 6-iodanyl-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate

Systemtic Name: methyl 6-iodanyl-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate Openeye Name: methyl 6-iodo-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate CAS Name: 6-iodo-2-(3-methyl-4-imidazolyl)-7-(trifluoromethyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-iodo-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate Traditional Name: 6-iodo-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)cinchoninic acid methyl ester Formula: C16H11F3IN3O2 MolecularWeight: 461.17712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C(=O)OC)I)C(F)(F)F

Isomeric SMILES

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C(=O)OC)I)C(F)(F)F

InChI

InChI=1S/C16H11F3IN3O2/c1-23-7-21-6-14(23)13-4-9(15(24)25-2)8-3-11(20)10(16(17,18)19)5-12(8)22-13/h3-7H,1-2H3