4-(3-methylbut-2-enoxy)-7-nitro-3-octoxy-1H-quinolin-2-one

Systemtic Name: 4-(3-methylbut-2-enoxy)-7-nitro-3-octoxy-1H-quinolin-2-one Openeye Name: 4-(3-methylbut-2-enoxy)-7-nitro-3-octoxy-1H-quinolin-2-one CAS Name: 4-(3-methylbut-2-enoxy)-7-nitro-3-octoxy-1H-quinolin-2-one IUPAC Name: 4-(3-methylbut-2-enoxy)-7-nitro-3-octoxy-1H-quinolin-2-one Traditional Name: 4-(3-methylbut-2-enoxy)-7-nitro-3-octoxy-carbostyril Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)OCC=C(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)OCC=C(C)C

InChI

InChI=1S/C22H30N2O5/c1-4-5-6-7-8-9-13-28-21-20(29-14-12-16(2)3)18-11-10-17(24(26)27)15-19(18)23-22(21)25/h10-12,15H,4-9,13-14H2,1-3H3,(H,23,25)