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

Systemtic Name: (4-hexoxy-1-hexyl-7-nitro-2-oxidanylidene-quinolin-3-yl) ethanoate Openeye Name: (4-hexoxy-1-hexyl-7-nitro-2-oxo-3-quinolyl) acetate CAS Name: acetic acid (4-hexoxy-1-hexyl-7-nitro-2-oxo-3-quinolinyl) ester IUPAC Name: (4-hexoxy-1-hexyl-7-nitro-2-oxoquinolin-3-yl) acetate Traditional Name: acetic acid (4-hexoxy-1-hexyl-2-keto-7-nitro-3-quinolyl) ester Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OCCCCCC

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC(=O)C)OCCCCCC

InChI

InChI=1S/C23H32N2O6/c1-4-6-8-10-14-24-20-16-18(25(28)29)12-13-19(20)21(30-15-11-9-7-5-2)22(23(24)27)31-17(3)26/h12-13,16H,4-11,14-15H2,1-3H3