7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(2-fluorocyclopropyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1F)N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5C=CC=CC5(C4)N)F)C(=O)O

Isomeric SMILES

C1C(C1F)N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5C=CC=CC5(C4)N)F)C(=O)O

InChI

InChI=1S/C21H19F2N3O3/c22-14-5-12-16(26(18-6-15(18)23)9-13(19(12)27)20(28)29)7-17(14)25-8-11-3-1-2-4-21(11,24)10-25/h1-5,7,9,11,15,18H,6,8,10,24H2,(H,28,29)