(4-butoxy-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl) methanoate

Systemtic Name: (4-butoxy-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl) methanoate Openeye Name: (4-butoxy-7-nitro-1-octyl-2-oxo-3-quinolyl) formate CAS Name: formic acid (4-butoxy-7-nitro-1-octyl-2-oxo-3-quinolinyl) ester IUPAC Name: (4-butoxy-7-nitro-1-octyl-2-oxoquinolin-3-yl) formate Traditional Name: formic acid (4-butoxy-2-keto-7-nitro-1-octyl-3-quinolyl) ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6/c1-3-5-7-8-9-10-13-23-19-15-17(24(27)28)11-12-18(19)20(29-14-6-4-2)21(22(23)26)30-16-25/h11-12,15-16H,3-10,13-14H2,1-2H3