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

Systemtic Name: (4-butoxy-1-hexyl-7-nitro-2-oxidanylidene-quinolin-3-yl) methanoate Openeye Name: (4-butoxy-1-hexyl-7-nitro-2-oxo-3-quinolyl) formate CAS Name: formic acid (4-butoxy-1-hexyl-7-nitro-2-oxo-3-quinolinyl) ester IUPAC Name: (4-butoxy-1-hexyl-7-nitro-2-oxoquinolin-3-yl) formate Traditional Name: formic acid (4-butoxy-1-hexyl-2-keto-7-nitro-3-quinolyl) ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6/c1-3-5-7-8-11-21-17-13-15(22(25)26)9-10-16(17)18(27-12-6-4-2)19(20(21)24)28-14-23/h9-10,13-14H,3-8,11-12H2,1-2H3