5-ethenyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid; 5,6,7-tris(chloranyl)-4-oxidanylidene-1H-quinoline-2-carboxylic acid

Systemtic Name: 5-ethenyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid; 5,6,7-tris(chloranyl)-4-oxidanylidene-1H-quinoline-2-carboxylic acid Openeye Name: 4-oxo-5-vinyl-1H-quinoline-2-carboxylic acid; 5,6,7-trichloro-4-oxo-1H-quinoline-2-carboxylic acid CAS Name: 5-ethenyl-4-oxo-1H-quinoline-2-carboxylic acid; 5,6,7-trichloro-4-oxo-1H-quinoline-2-carboxylic acid IUPAC Name: 5-ethenyl-4-oxo-1H-quinoline-2-carboxylic acid; 5,6,7-trichloro-4-oxo-1H-quinoline-2-carboxylic acid Traditional Name: 4-keto-5-vinyl-1H-quinoline-2-carboxylic acid; 5,6,7-trichloro-4-keto-1H-quinoline-2-carboxylic acid Formula: C22H13Cl3N2O6 MolecularWeight: 507.70742

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C2C(=CC=C1)NC(=CC2=O)C(=O)O.C1=C2C(=C(C(=C1Cl)Cl)Cl)C(=O)C=C(N2)C(=O)O

Isomeric SMILES

C=CC1=C2C(=CC=C1)NC(=CC2=O)C(=O)O.C1=C2C(=C(C(=C1Cl)Cl)Cl)C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C12H9NO3.C10H4Cl3NO3/c1-2-7-4-3-5-8-11(7)10(14)6-9(13-8)12(15)16;11-3-1-4-7(9(13)8(3)12)6(15)2-5(14-4)10(16)17/h2-6H,1H2,(H,13,14)(H,15,16);1-2H,(H,14,15)(H,16,17)