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

Systemtic Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1H-quinolin-2-one Openeye Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1H-quinolin-2-one CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1H-quinolin-2-one IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-1H-quinolin-2-one Traditional Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-7-nitro-carbostyril Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C25H34N2O5/c1-5-6-7-8-15-31-23-21-13-12-20(27(29)30)17-22(21)26-25(28)24(23)32-16-14-19(4)11-9-10-18(2)3/h10,12-14,17H,5-9,11,15-16H2,1-4H3,(H,26,28)/b19-14+