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

Systemtic Name: 4-hexoxy-1-methyl-3-(2-methylpentoxy)-7-nitro-quinolin-2-one Openeye Name: 4-hexoxy-1-methyl-3-(2-methylpentoxy)-7-nitro-quinolin-2-one CAS Name: 4-hexoxy-1-methyl-3-(2-methylpentoxy)-7-nitro-2-quinolinone IUPAC Name: 4-hexoxy-1-methyl-3-(2-methylpentoxy)-7-nitroquinolin-2-one Traditional Name: 4-hexoxy-1-methyl-3-(2-methylpentoxy)-7-nitro-carbostyril Formula: C22H32N2O5 MolecularWeight: 404.49988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5/c1-5-7-8-9-13-28-20-18-12-11-17(24(26)27)14-19(18)23(4)22(25)21(20)29-15-16(3)10-6-2/h11-12,14,16H,5-10,13,15H2,1-4H3