[4-(3-methylbut-2-enoxy)-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl] methanoate

Systemtic Name: [4-(3-methylbut-2-enoxy)-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl] methanoate Openeye Name: [4-(3-methylbut-2-enoxy)-7-nitro-1-octyl-2-oxo-3-quinolyl] formate CAS Name: formic acid [4-(3-methylbut-2-enoxy)-7-nitro-1-octyl-2-oxo-3-quinolinyl] ester IUPAC Name: [4-(3-methylbut-2-enoxy)-7-nitro-1-octyl-2-oxoquinolin-3-yl] formate Traditional Name: formic acid [2-keto-4-(3-methylbut-2-enoxy)-7-nitro-1-octyl-3-quinolyl] ester Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC=O)OCC=C(C)C

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC=O)OCC=C(C)C

InChI

InChI=1S/C23H30N2O6/c1-4-5-6-7-8-9-13-24-20-15-18(25(28)29)10-11-19(20)21(30-14-12-17(2)3)22(23(24)27)31-16-26/h10-12,15-16H,4-9,13-14H2,1-3H3