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

Systemtic Name: (1-butyl-7-nitro-2-oxidanyl-4-oxidanylidene-quinolin-3-yl) ethanoate Openeye Name: (1-butyl-2-hydroxy-7-nitro-4-oxo-3-quinolyl) acetate CAS Name: acetic acid (1-butyl-2-hydroxy-7-nitro-4-oxo-3-quinolinyl) ester IUPAC Name: (1-butyl-2-hydroxy-7-nitro-4-oxoquinolin-3-yl) acetate Traditional Name: acetic acid (1-butyl-2-hydroxy-4-keto-7-nitro-3-quinolyl) ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC(=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC(=O)C

InChI

InChI=1S/C15H16N2O6/c1-3-4-7-16-12-8-10(17(21)22)5-6-11(12)13(19)14(15(16)20)23-9(2)18/h5-6,8,20H,3-4,7H2,1-2H3