4-butoxy-1-hexyl-3-(2-methylpentoxy)-7-nitro-quinolin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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