4-nitrooxybutyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: 4-nitrooxybutyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: 4-nitrooxybutyl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid 4-nitrooxybutyl ester Formula: C20H25FN4O6 MolecularWeight: 436.434103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C20H25FN4O6/c1-2-23-13-15(20(27)30-9-3-4-10-31-25(28)29)19(26)14-11-16(21)18(12-17(14)23)24-7-5-22-6-8-24/h11-13,22H,2-10H2,1H3