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

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6,8-bis(fluoranyl)-1-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6,8-difluoro-1-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6,8-difluoro-1-(4-hydroxyphenyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H17F2N3O4 MolecularWeight: 401.363486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)O)F

Isomeric SMILES

C1CN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)O)F

InChI

InChI=1S/C20H17F2N3O4/c21-15-7-13-17(16(22)18(15)24-6-5-10(23)8-24)25(9-14(19(13)27)20(28)29)11-1-3-12(26)4-2-11/h1-4,7,9-10,26H,5-6,8,23H2,(H,28,29)