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

Systemtic Name: 1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-quinolin-2-one Openeye Name: 1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-quinolin-2-one CAS Name: 1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-2-quinolinone IUPAC Name: 1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxyquinolin-2-one Traditional Name: 1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-3-octoxy-carbostyril Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CCCC)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CCCC)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C31H46N2O5/c1-6-8-10-11-12-13-21-37-30-29(38-22-19-25(5)16-14-15-24(3)4)27-18-17-26(33(35)36)23-28(27)32(31(30)34)20-9-7-2/h15,17-19,23H,6-14,16,20-22H2,1-5H3/b25-19+