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

Systemtic Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-hydroxy-7-nitro-quinolin-4-one CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-hydroxy-7-nitro-4-quinolinone IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-hydroxy-7-nitroquinolin-4-one Traditional Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-hydroxy-7-nitro-4-quinolone Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC/C=C(\C)/CCC=C(C)C

InChI

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