dimethyl 2-[1-(3-methoxy-4-oxidanyl-phenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[1-(3-methoxy-4-oxidanyl-phenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[1-(4-hydroxy-3-methoxy-phenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[1-(4-hydroxy-3-methoxyphenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-hydroxy-3-methoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[1-(4-hydroxy-3-methoxy-phenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C14H17NO8 MolecularWeight: 327.28668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO8/c1-21-11-6-8(4-5-10(11)16)9(7-15(19)20)12(13(17)22-2)14(18)23-3/h4-6,9,12,16H,7H2,1-3H3