(4-hexoxy-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl) ethanoate

Systemtic Name: (4-hexoxy-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl) ethanoate Openeye Name: (4-hexoxy-7-nitro-1-octyl-2-oxo-3-quinolyl) acetate CAS Name: acetic acid (4-hexoxy-7-nitro-1-octyl-2-oxo-3-quinolinyl) ester IUPAC Name: (4-hexoxy-7-nitro-1-octyl-2-oxoquinolin-3-yl) acetate Traditional Name: acetic acid (4-hexoxy-2-keto-7-nitro-1-octyl-3-quinolyl) ester Formula: C25H36N2O6 MolecularWeight: 460.56314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O6/c1-4-6-8-10-11-12-16-26-22-18-20(27(30)31)14-15-21(22)23(32-17-13-9-7-5-2)24(25(26)29)33-19(3)28/h14-15,18H,4-13,16-17H2,1-3H3