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

Systemtic Name: [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-oxidanylidene-quinolin-3-yl] ethanoate Openeye Name: [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-oxo-3-quinolyl] acetate CAS Name: acetic acid [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-oxo-3-quinolinyl] ester IUPAC Name: [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-oxoquinolin-3-yl] acetate Traditional Name: acetic acid [1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-7-nitro-3-quinolyl] ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCN1C2=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/C25H32N2O6/c1-6-7-14-26-22-16-20(27(30)31)11-12-21(22)23(24(25(26)29)33-19(5)28)32-15-13-18(4)10-8-9-17(2)3/h9,11-13,16H,6-8,10,14-15H2,1-5H3/b18-13+