7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-6-fluoro-8-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C17H18FN3O4 MolecularWeight: 347.340923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)O)N4CCC(C4)N)F)C(=O)O

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C=C3C(=C2O)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C17H18FN3O4/c18-12-5-10-13(16(23)14(12)20-4-3-8(19)6-20)21(9-1-2-9)7-11(15(10)22)17(24)25/h5,7-9,23H,1-4,6,19H2,(H,24,25)/t8-/m0/s1