3-ethanoyl-6-iodanyl-2-methyl-quinoline-4-carboxylate

Systemtic Name: 3-ethanoyl-6-iodanyl-2-methyl-quinoline-4-carboxylate Openeye Name: 3-acetyl-6-iodo-2-methyl-quinoline-4-carboxylate CAS Name: 3-acetyl-6-iodo-2-methyl-4-quinolinecarboxylate IUPAC Name: 3-acetyl-6-iodo-2-methylquinoline-4-carboxylate Traditional Name: 3-acetyl-6-iodo-2-methyl-cinchoninate Formula: C13H9INO3- MolecularWeight: 354.11993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)I)C(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)I)C(=O)[O-])C(=O)C

InChI

InChI=1S/C13H10INO3/c1-6-11(7(2)16)12(13(17)18)9-5-8(14)3-4-10(9)15-6/h3-5H,1-2H3,(H,17,18)/p-1