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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O5/c1-6-8-9-10-11-12-19-35-28-27(36-20-18-23(5)15-13-14-22(3)4)25-17-16-24(31(33)34)21-26(25)30(7-2)29(28)32/h14,16-18,21H,6-13,15,19-20H2,1-5H3/b23-18+