7-[(3E)-3-(2-azanyl-1-chloranyl-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3E)-3-(2-azanyl-1-chloranyl-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3E)-3-(2-amino-1-chloro-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3E)-3-(2-amino-1-chloroethylidene)-1-piperidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3E)-3-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3E)-3-(2-amino-1-chloro-ethylidene)piperidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H21ClFN3O3 MolecularWeight: 405.850443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CN)Cl)CN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

C1C/C(=C(/CN)\Cl)/CN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H21ClFN3O3/c21-15(8-23)11-2-1-5-24(9-11)18-7-17-13(6-16(18)22)19(26)14(20(27)28)10-25(17)12-3-4-12/h6-7,10,12H,1-5,8-9,23H2,(H,27,28)/b15-11+