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

Systemtic Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-ethyl-7-nitro-2-oxidanylidene-quinolin-3-yl] methanoate Openeye Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-ethyl-7-nitro-2-oxo-3-quinolyl] formate CAS Name: formic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-ethyl-7-nitro-2-oxo-3-quinolinyl] ester IUPAC Name: [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-ethyl-7-nitro-2-oxoquinolin-3-yl] formate Traditional Name: formic acid [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-ethyl-2-keto-7-nitro-3-quinolyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C22H26N2O6/c1-5-23-19-13-17(24(27)28)9-10-18(19)20(21(22(23)26)30-14-25)29-12-11-16(4)8-6-7-15(2)3/h7,9-11,13-14H,5-6,8,12H2,1-4H3/b16-11+