7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-isoindolin-5-yl-1-isoxazol-3-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(3-isoxazolyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-7-isoindolin-5-yl-1-isoxazol-3-yl-4-keto-quinoline-3-carboxylic acid Formula: C21H14FN3O4 MolecularWeight: 391.351963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=NOC=C5)F

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=NOC=C5)F

InChI

InChI=1S/C21H14FN3O4/c22-17-6-15-18(7-14(17)11-1-2-12-8-23-9-13(12)5-11)25(19-3-4-29-24-19)10-16(20(15)26)21(27)28/h1-7,10,23H,8-9H2,(H,27,28)