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

Systemtic Name: (1-hexyl-7-nitro-2-oxidanyl-4-oxidanylidene-quinolin-3-yl) methanoate Openeye Name: (1-hexyl-2-hydroxy-7-nitro-4-oxo-3-quinolyl) formate CAS Name: formic acid (1-hexyl-2-hydroxy-7-nitro-4-oxo-3-quinolinyl) ester IUPAC Name: (1-hexyl-2-hydroxy-7-nitro-4-oxoquinolin-3-yl) formate Traditional Name: formic acid (1-hexyl-2-hydroxy-4-keto-7-nitro-3-quinolyl) ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-2-3-4-5-8-17-13-9-11(18(22)23)6-7-12(13)14(20)15(16(17)21)24-10-19/h6-7,9-10,21H,2-5,8H2,1H3