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

Systemtic Name: butyl 2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-ethanoate Openeye Name: butyl 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-oxo-acetate CAS Name: 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoacetic acid butyl ester IUPAC Name: butyl 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoacetate Traditional Name: 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-acetic acid butyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO7/c1-3-4-5-21-13(17)11(15)8-6-9(14(18)19)12(16)10(7-8)20-2/h6-7,16H,3-5H2,1-2H3