5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-[(3R,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidino]quinoline-3-carboxylic acid Formula: C19H22ClFN4O4 MolecularWeight: 424.853783

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CN(CC1OC)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)Cl

Isomeric SMILES

CN[C@H]1CN(C[C@H]1OC)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)Cl

InChI

InChI=1S/C19H22ClFN4O4/c1-23-10-6-24(7-11(10)29-2)17-13(20)16-12(15(22)14(17)21)18(26)9(19(27)28)5-25(16)8-3-4-8/h5,8,10-11,23H,3-4,6-7,22H2,1-2H3,(H,27,28)/t10-,11+/m0/s1