4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1H-quinolin-2-one

Systemtic Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1H-quinolin-2-one Openeye Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1H-quinolin-2-one CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1H-quinolin-2-one IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1H-quinolin-2-one Traditional Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-carbostyril Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C27H38N2O5/c1-5-6-7-8-9-10-17-33-26-25(34-18-16-21(4)13-11-12-20(2)3)23-15-14-22(29(31)32)19-24(23)28-27(26)30/h12,14-16,19H,5-11,13,17-18H2,1-4H3,(H,28,30)/b21-16+