[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid [4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C31H33FN4O9 MolecularWeight: 624.613523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCNCC4)C5CC5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCNCC4)C5CC5

InChI

InChI=1S/C31H33FN4O9/c1-42-28-16-20(5-9-29(37)43-14-2-3-15-44-36(40)41)4-8-27(28)45-31(39)23-19-35(21-6-7-21)25-18-26(34-12-10-33-11-13-34)24(32)17-22(25)30(23)38/h4-5,8-9,16-19,21,33H,2-3,6-7,10-15H2,1H3/b9-5+