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

Systemtic Name: 3-hexoxy-1-methyl-4-(3-methylbut-2-enoxy)-7-nitro-quinolin-2-one Openeye Name: 3-hexoxy-1-methyl-4-(3-methylbut-2-enoxy)-7-nitro-quinolin-2-one CAS Name: 3-hexoxy-1-methyl-4-(3-methylbut-2-enoxy)-7-nitro-2-quinolinone IUPAC Name: 3-hexoxy-1-methyl-4-(3-methylbut-2-enoxy)-7-nitroquinolin-2-one Traditional Name: 3-hexoxy-1-methyl-4-(3-methylbut-2-enoxy)-7-nitro-carbostyril Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C)OCC=C(C)C

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C)OCC=C(C)C

InChI

InChI=1S/C21H28N2O5/c1-5-6-7-8-12-27-20-19(28-13-11-15(2)3)17-10-9-16(23(25)26)14-18(17)22(4)21(20)24/h9-11,14H,5-8,12-13H2,1-4H3