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

Systemtic Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl] ethanoate Openeye Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-oxo-3-quinolyl] acetate CAS Name: acetic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-oxo-3-quinolinyl] ester IUPAC Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-oxoquinolin-3-yl] acetate Traditional Name: acetic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-7-nitro-1-octyl-3-quinolyl] ester Formula: C29H40N2O6 MolecularWeight: 512.6377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCN1C2=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/C29H40N2O6/c1-6-7-8-9-10-11-18-30-26-20-24(31(34)35)15-16-25(26)27(28(29(30)33)37-23(5)32)36-19-17-22(4)14-12-13-21(2)3/h13,15-17,20H,6-12,14,18-19H2,1-5H3/b22-17+