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

Systemtic Name: (1-hexyl-7-nitro-2-oxidanyl-4-oxidanylidene-quinolin-3-yl) ethanoate Openeye Name: (1-hexyl-2-hydroxy-7-nitro-4-oxo-3-quinolyl) acetate CAS Name: acetic acid (1-hexyl-2-hydroxy-7-nitro-4-oxo-3-quinolinyl) ester IUPAC Name: (1-hexyl-2-hydroxy-7-nitro-4-oxoquinolin-3-yl) acetate Traditional Name: acetic acid (1-hexyl-2-hydroxy-4-keto-7-nitro-3-quinolyl) ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC(=O)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC(=O)C

InChI

InChI=1S/C17H20N2O6/c1-3-4-5-6-9-18-14-10-12(19(23)24)7-8-13(14)15(21)16(17(18)22)25-11(2)20/h7-8,10,22H,3-6,9H2,1-2H3