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

Systemtic Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1-octyl-quinolin-2-one Openeye Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1-octyl-quinolin-2-one CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1-octyl-2-quinolinone IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1-octylquinolin-2-one Traditional Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-1-octyl-carbostyril Formula: C35H54N2O5 MolecularWeight: 582.81366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H54N2O5/c1-6-8-10-12-14-16-24-36-32-27-30(37(39)40)21-22-31(32)33(42-26-23-29(5)20-18-19-28(3)4)34(35(36)38)41-25-17-15-13-11-9-7-2/h19,21-23,27H,6-18,20,24-26H2,1-5H3/b29-23+