5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(3-methylolpiperazino)quinoline-3-carboxylic acid Formula: C18H20F2N4O4 MolecularWeight: 394.372606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCNC(C4)CO)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCNC(C4)CO)F)C(=O)O

InChI

InChI=1S/C18H20F2N4O4/c19-12-14(21)11-15(13(20)16(12)23-4-3-22-8(5-23)7-25)24(9-1-2-9)6-10(17(11)26)18(27)28/h6,8-9,22,25H,1-5,7,21H2,(H,27,28)