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

Systemtic Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-quinolin-2-one Openeye Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-quinolin-2-one CAS Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-2-quinolinone IUPAC Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octylquinolin-2-one Traditional Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-carbostyril Formula: C37H54N2O5 MolecularWeight: 606.83506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=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

CCCCCCCCN1C2=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/C37H54N2O5/c1-8-9-10-11-12-13-24-38-34-27-32(39(41)42)20-21-33(34)35(43-25-22-30(6)18-14-16-28(2)3)36(37(38)40)44-26-23-31(7)19-15-17-29(4)5/h16-17,20-23,27H,8-15,18-19,24-26H2,1-7H3/b30-22+,31-23+