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

Systemtic Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl] methanoate Openeye Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-oxo-3-quinolyl] formate CAS Name: formic 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] formate Traditional Name: formic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-7-nitro-1-octyl-3-quinolyl] ester Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O6/c1-5-6-7-8-9-10-17-29-25-19-23(30(33)34)14-15-24(25)26(27(28(29)32)36-20-31)35-18-16-22(4)13-11-12-21(2)3/h12,14-16,19-20H,5-11,13,17-18H2,1-4H3/b22-16+