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

Systemtic Name: (4-hexoxy-7-nitro-2-oxidanylidene-1H-quinolin-3-yl) ethanoate Openeye Name: (4-hexoxy-7-nitro-2-oxo-1H-quinolin-3-yl) acetate CAS Name: acetic acid (4-hexoxy-7-nitro-2-oxo-1H-quinolin-3-yl) ester IUPAC Name: (4-hexoxy-7-nitro-2-oxo-1H-quinolin-3-yl) acetate Traditional Name: acetic acid (4-hexoxy-2-keto-7-nitro-1H-quinolin-3-yl) ester Formula: C17H20N2O6 MolecularWeight: 348.3505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCCCCCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C17H20N2O6/c1-3-4-5-6-9-24-15-13-8-7-12(19(22)23)10-14(13)18-17(21)16(15)25-11(2)20/h7-8,10H,3-6,9H2,1-2H3,(H,18,21)