1-ethyl-7-[3-(ethylamino)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-7-[3-(ethylamino)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-[3-(ethylamino)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-[3-(ethylamino)-1-pyrrolidinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-[3-(ethylamino)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-7-[3-(ethylamino)pyrrolidino]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCNC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C18H21F2N3O3/c1-3-21-10-5-6-23(8-10)16-13(19)7-11-15(14(16)20)22(4-2)9-12(17(11)24)18(25)26/h7,9-10,21H,3-6,8H2,1-2H3,(H,25,26)