hexyl 2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethanoate

Systemtic Name: hexyl 2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethanoate Openeye Name: hexyl 2-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-acetate CAS Name: 2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoacetic acid hexyl ester IUPAC Name: hexyl 2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoacetate Traditional Name: 2-(3,4-dihydroxy-5-nitro-phenyl)-2-keto-acetic acid hexyl ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO7/c1-2-3-4-5-6-22-14(19)12(17)9-7-10(15(20)21)13(18)11(16)8-9/h7-8,16,18H,2-6H2,1H3