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

Systemtic Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-quinolin-2-one Openeye Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-quinolin-2-one CAS Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-2-quinolinone IUPAC Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitroquinolin-2-one Traditional Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-carbostyril Formula: C29H42N2O5 MolecularWeight: 498.65418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)N(C2=C1C=CC(=C2)[N+](=O)[O-])CCCC)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCOC1=C(C(=O)N(C2=C1C=CC(=C2)[N+](=O)[O-])CCCC)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C29H42N2O5/c1-6-8-10-11-19-35-27-25-16-15-24(31(33)34)21-26(25)30(18-9-7-2)29(32)28(27)36-20-17-23(5)14-12-13-22(3)4/h13,15-17,21H,6-12,14,18-20H2,1-5H3/b23-17+