1-butyl-4-hexoxy-7-nitro-3-prop-2-enoxy-quinolin-2-one

Systemtic Name: 1-butyl-4-hexoxy-7-nitro-3-prop-2-enoxy-quinolin-2-one Openeye Name: 3-allyloxy-1-butyl-4-hexoxy-7-nitro-quinolin-2-one CAS Name: 1-butyl-4-hexoxy-7-nitro-3-prop-2-enoxy-2-quinolinone IUPAC Name: 1-butyl-4-hexoxy-7-nitro-3-prop-2-enoxyquinolin-2-one Traditional Name: 3-allyloxy-1-butyl-4-hexoxy-7-nitro-carbostyril Formula: C22H30N2O5 MolecularWeight: 402.484

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-4-7-9-10-15-29-20-18-12-11-17(24(26)27)16-19(18)23(13-8-5-2)22(25)21(20)28-14-6-3/h6,11-12,16H,3-5,7-10,13-15H2,1-2H3