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

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

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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

Isomeric SMILES

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

InChI

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