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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(furan-3-ylmethyl)-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-furylmethyl)-4-oxo-quinoline-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-furanylmethyl)-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(furan-3-ylmethyl)-4-oxoquinoline-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-furfuryl)-4-keto-quinaldic acid Formula: C23H16ClNO6 MolecularWeight: 437.82924

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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=COC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClNO6/c24-17-9-20-19(30-12-31-20)8-14(17)10-25-18-4-2-1-3-15(18)22(26)16(21(25)23(27)28)7-13-5-6-29-11-13/h1-6,8-9,11H,7,10,12H2,(H,27,28)