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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-[(4-ethenylphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-[(4-vinylphenyl)methyl]quinoline-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(4-ethenylphenyl)methyl]-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(4-ethenylphenyl)methyl]-4-oxoquinoline-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-3-(4-vinylbenzyl)quinaldic acid Formula: C27H20ClNO5 MolecularWeight: 473.9044

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

C=CC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C27H20ClNO5/c1-2-16-7-9-17(10-8-16)11-20-25(27(31)32)29(22-6-4-3-5-19(22)26(20)30)14-18-12-23-24(13-21(18)28)34-15-33-23/h2-10,12-13H,1,11,14-15H2,(H,31,32)