2-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethenyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethenyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 2-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethenyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethenyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[3-(aminomethyl)pyrrolidino]-6,8-difluoro-4-keto-1-vinyl-quinoline-3-carboxylic acid Formula: C17H17F2N3O3 MolecularWeight: 349.331986

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C2=C(C=C(C=C2C(=O)C(=C1N3CCC(C3)CN)C(=O)O)F)F

Isomeric SMILES

C=CN1C2=C(C=C(C=C2C(=O)C(=C1N3CCC(C3)CN)C(=O)O)F)F

InChI

InChI=1S/C17H17F2N3O3/c1-2-22-14-11(5-10(18)6-12(14)19)15(23)13(17(24)25)16(22)21-4-3-9(7-20)8-21/h2,5-6,9H,1,3-4,7-8,20H2,(H,24,25)