[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-oxidanylidene-quinolin-3-yl] ethanoate

Systemtic Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-oxidanylidene-quinolin-3-yl] ethanoate Openeye Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-oxo-3-quinolyl] acetate CAS Name: acetic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-oxo-3-quinolinyl] ester IUPAC Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-oxoquinolin-3-yl] acetate Traditional Name: acetic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-keto-7-nitro-3-quinolyl] ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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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)CCC=C(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C27H36N2O6/c1-6-7-8-9-16-28-24-18-22(29(32)33)13-14-23(24)25(26(27(28)31)35-21(5)30)34-17-15-20(4)12-10-11-19(2)3/h11,13-15,18H,6-10,12,16-17H2,1-5H3/b20-15+