8-chloranyl-1-cyclopropyl-6-fluoranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)pyrrolidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H25ClFN3O5 MolecularWeight: 465.902403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN1C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)Cl)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCN1C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)Cl)F)C(=O)O

InChI

InChI=1S/C22H25ClFN3O5/c1-22(2,3)32-21(31)25-15-5-4-8-26(15)19-16(20(29)30)18(28)13-9-11(24)10-14(23)17(13)27(19)12-6-7-12/h9-10,12,15H,4-8H2,1-3H3,(H,25,31)(H,29,30)