1-butyl-4-hexoxy-3-(2-methylpentoxy)-7-nitro-quinolin-2-one

Systemtic Name: 1-butyl-4-hexoxy-3-(2-methylpentoxy)-7-nitro-quinolin-2-one Openeye Name: 1-butyl-4-hexoxy-3-(2-methylpentoxy)-7-nitro-quinolin-2-one CAS Name: 1-butyl-4-hexoxy-3-(2-methylpentoxy)-7-nitro-2-quinolinone IUPAC Name: 1-butyl-4-hexoxy-3-(2-methylpentoxy)-7-nitroquinolin-2-one Traditional Name: 1-butyl-4-hexoxy-3-(2-methylpentoxy)-7-nitro-carbostyril Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O5/c1-5-8-10-11-16-31-23-21-14-13-20(27(29)30)17-22(21)26(15-9-6-2)25(28)24(23)32-18-19(4)12-7-3/h13-14,17,19H,5-12,15-16,18H2,1-4H3