1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-3-(pyridin-3-ylmethyl)quinoline-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-3-(pyridin-3-ylmethyl)quinoline-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-(3-pyridylmethyl)quinoline-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-(3-pyridinylmethyl)-2-quinolinecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)quinoline-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-3-(3-pyridylmethyl)quinaldic acid Formula: C24H17ClN2O5 MolecularWeight: 448.85518

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)O)CC5=CN=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)O)CC5=CN=CC=C5)Cl

InChI

InChI=1S/C24H17ClN2O5/c25-18-10-21-20(31-13-32-21)9-15(18)12-27-19-6-2-1-5-16(19)23(28)17(22(27)24(29)30)8-14-4-3-7-26-11-14/h1-7,9-11H,8,12-13H2,(H,29,30)