methyl 2-[4-methoxy-2-(3-nitropropanoyl)-5-oxidanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4-methoxy-2-(3-nitropropanoyl)-5-oxidanyl-phenyl]ethanoate Openeye Name: methyl 2-[5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetate CAS Name: 2-[5-hydroxy-4-methoxy-2-(3-nitro-1-oxopropyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetate Traditional Name: 2-[5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetic acid methyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)CC[N+](=O)[O-])CC(=O)OC)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)CC[N+](=O)[O-])CC(=O)OC)O

InChI

InChI=1S/C13H15NO7/c1-20-12-7-9(10(15)3-4-14(18)19)8(5-11(12)16)6-13(17)21-2/h5,7,16H,3-4,6H2,1-2H3