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

Systemtic Name: 4-butoxy-1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-quinolin-2-one Openeye Name: 4-butoxy-1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-quinolin-2-one CAS Name: 4-butoxy-1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-quinolinone IUPAC Name: 4-butoxy-1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitroquinolin-2-one Traditional Name: 4-butoxy-1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-carbostyril Formula: C27H38N2O5 MolecularWeight: 470.60102

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5/c1-6-8-16-28-24-19-22(29(31)32)13-14-23(24)25(33-17-9-7-2)26(27(28)30)34-18-15-21(5)12-10-11-20(3)4/h11,13-15,19H,6-10,12,16-18H2,1-5H3/b21-15+