4-nitrooxybutyl 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 4-nitrooxybutyl 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 4-nitrooxybutyl 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid 4-nitrooxybutyl ester Formula: C21H26F2N4O6 MolecularWeight: 468.451146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C21H26F2N4O6/c1-3-25-12-15(21(29)32-8-4-5-9-33-27(30)31)20(28)14-10-16(22)19(17(23)18(14)25)26-7-6-24-13(2)11-26/h10,12-13,24H,3-9,11H2,1-2H3