7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-4-oxidanylidene-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-4-oxidanylidene-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-4-keto-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Formula: C20H19FN3O7P MolecularWeight: 463.352924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)OP(=O)(O)O)F

Isomeric SMILES

C1CN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)OP(=O)(O)O)F

InChI

InChI=1S/C20H19FN3O7P/c21-16-7-14-17(8-18(16)23-6-5-11(22)9-23)24(10-15(19(14)25)20(26)27)12-1-3-13(4-2-12)31-32(28,29)30/h1-4,7-8,10-11H,5-6,9,22H2,(H,26,27)(H2,28,29,30)