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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-4-6-8-9-13-28-19-17-11-10-16(23(26)27)14-18(17)22(12-7-5-2)21(25)20(19)29-15(3)24/h10-11,14H,4-9,12-13H2,1-3H3