[1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxidanylidene-quinolin-3-yl] ethanoate

Systemtic Name: [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxidanylidene-quinolin-3-yl] ethanoate Openeye Name: [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-3-quinolyl] acetate CAS Name: acetic acid [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-3-quinolinyl] ester IUPAC Name: [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxoquinolin-3-yl] acetate Traditional Name: acetic acid [1-hexyl-2-keto-4-(3-methylbut-2-enoxy)-7-nitro-3-quinolyl] ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OCC=C(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OCC=C(C)C

InChI

InChI=1S/C22H28N2O6/c1-5-6-7-8-12-23-19-14-17(24(27)28)9-10-18(19)20(29-13-11-15(2)3)21(22(23)26)30-16(4)25/h9-11,14H,5-8,12-13H2,1-4H3