hexyl 2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-ethanoate

Systemtic Name: hexyl 2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-ethanoate Openeye Name: hexyl 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-oxo-acetate CAS Name: 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoacetic acid hexyl ester IUPAC Name: hexyl 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoacetate Traditional Name: 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-acetic acid hexyl ester Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO7/c1-3-4-5-6-7-23-15(19)13(17)10-8-11(16(20)21)14(18)12(9-10)22-2/h8-9,18H,3-7H2,1-2H3