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

Systemtic Name: (4-ethoxy-7-nitro-1-octyl-2-oxidanylidene-quinolin-3-yl) ethanoate Openeye Name: (4-ethoxy-7-nitro-1-octyl-2-oxo-3-quinolyl) acetate CAS Name: acetic acid (4-ethoxy-7-nitro-1-octyl-2-oxo-3-quinolinyl) ester IUPAC Name: (4-ethoxy-7-nitro-1-octyl-2-oxoquinolin-3-yl) acetate Traditional Name: acetic acid (4-ethoxy-2-keto-7-nitro-1-octyl-3-quinolyl) ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-4-6-7-8-9-10-13-22-18-14-16(23(26)27)11-12-17(18)19(28-5-2)20(21(22)25)29-15(3)24/h11-12,14H,4-10,13H2,1-3H3