1-cyclopropyl-6-fluoranyl-7-(5-methanoyl-2,3-dimethoxy-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-(5-methanoyl-2,3-dimethoxy-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-(5-formyl-2,3-dimethoxy-phenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-(5-formyl-2,3-dimethoxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-(5-formyl-2,3-dimethoxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-(5-formyl-2,3-dimethoxy-phenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H18FNO6 MolecularWeight: 411.379823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OC

InChI

InChI=1S/C22H18FNO6/c1-29-19-6-11(10-25)5-14(21(19)30-2)13-8-18-15(7-17(13)23)20(26)16(22(27)28)9-24(18)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,27,28)