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

Systemtic Name: 1-butyl-3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-quinolin-2-one Openeye Name: 1-butyl-3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-quinolin-2-one CAS Name: 1-butyl-3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-quinolinone IUPAC Name: 1-butyl-3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitroquinolin-2-one Traditional Name: 1-butyl-3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-carbostyril Formula: C33H46N2O5 MolecularWeight: 550.72874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC/C=C(\C)/CCC=C(C)C)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C33H46N2O5/c1-8-9-20-34-30-23-28(35(37)38)16-17-29(30)31(39-21-18-26(6)14-10-12-24(2)3)32(33(34)36)40-22-19-27(7)15-11-13-25(4)5/h12-13,16-19,23H,8-11,14-15,20-22H2,1-7H3/b26-18+,27-19+