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

Systemtic Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1-octyl-quinolin-2-one Openeye Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1-octyl-quinolin-2-one CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1-octyl-2-quinolinone IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1-octylquinolin-2-one Traditional Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1-octyl-carbostyril Formula: C33H50N2O5 MolecularWeight: 554.7605

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C33H50N2O5/c1-6-8-10-12-13-14-22-34-30-25-28(35(37)38)19-20-29(30)31(39-23-15-11-9-7-2)32(33(34)36)40-24-21-27(5)18-16-17-26(3)4/h17,19-21,25H,6-16,18,22-24H2,1-5H3/b27-21+