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

Systemtic Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-quinolin-2-one Openeye Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-quinolin-2-one CAS Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-quinolinone IUPAC Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octylquinolin-2-one Traditional Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-carbostyril Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OCCCC)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OCCCC)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C31H46N2O5/c1-6-8-10-11-12-13-20-32-28-23-26(33(35)36)17-18-27(28)29(30(31(32)34)37-21-9-7-2)38-22-19-25(5)16-14-15-24(3)4/h15,17-19,23H,6-14,16,20-22H2,1-5H3/b25-19+