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

Systemtic Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-3-octoxy-quinolin-2-one Openeye Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-3-octoxy-quinolin-2-one CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-3-octoxy-2-quinolinone IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-3-octoxyquinolin-2-one Traditional Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-3-octoxy-carbostyril Formula: C33H50N2O5 MolecularWeight: 554.7605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H50N2O5/c1-6-8-10-12-13-15-23-39-32-31(40-24-21-27(5)18-16-17-26(3)4)29-20-19-28(35(37)38)25-30(29)34(33(32)36)22-14-11-9-7-2/h17,19-21,25H,6-16,18,22-24H2,1-5H3/b27-21+