1-cyclopropyl-6,8-bis(fluoranyl)-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(2-methylolpiperazino)quinoline-3-carboxylic acid Formula: C18H19F2N3O4 MolecularWeight: 379.357966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4CO)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4CO)F)C(=O)O

InChI

InChI=1S/C18H19F2N3O4/c19-13-5-11-15(14(20)16(13)22-4-3-21-6-10(22)8-24)23(9-1-2-9)7-12(17(11)25)18(26)27/h5,7,9-10,21,24H,1-4,6,8H2,(H,26,27)