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

Systemtic Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-quinolin-2-one Openeye Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-quinolin-2-one CAS Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-quinolinone IUPAC Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitroquinolin-2-one Traditional Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-carbostyril Formula: C29H42N2O5 MolecularWeight: 498.65418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OCC=C(C)CCC=C(C)C)OCCCC

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC/C=C(\C)/CCC=C(C)C)OCCCC

InChI

InChI=1S/C29H42N2O5/c1-6-8-10-11-18-30-26-21-24(31(33)34)15-16-25(26)27(35-19-9-7-2)28(29(30)32)36-20-17-23(5)14-12-13-22(3)4/h13,15-17,21H,6-12,14,18-20H2,1-5H3/b23-17+