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

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

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


Isomeric SMILES

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


InChI

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


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