7-(3-acetamidopyrrolidin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-acetamidopyrrolidin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-acetamidopyrrolidin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-acetamido-1-pyrrolidinyl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-acetamidopyrrolidin-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-acetamidopyrrolidino)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H19F2N3O4 MolecularWeight: 379.357966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)NC(=O)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)NC(=O)C)F)C(=O)O

InChI

InChI=1S/C18H19F2N3O4/c1-3-22-8-12(18(26)27)17(25)11-6-13(19)16(14(20)15(11)22)23-5-4-10(7-23)21-9(2)24/h6,8,10H,3-5,7H2,1-2H3,(H,21,24)(H,26,27)