dimethyl 2-(2-nitrooxy-2-phenyl-ethyl)propanedioate

Systemtic Name: dimethyl 2-(2-nitrooxy-2-phenyl-ethyl)propanedioate Openeye Name: dimethyl 2-(2-nitrooxy-2-phenyl-ethyl)propanedioate CAS Name: 2-(2-nitrooxy-2-phenylethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-nitrooxy-2-phenylethyl)propanedioate Traditional Name: 2-(2-nitrooxy-2-phenyl-ethyl)malonic acid dimethyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO7/c1-19-12(15)10(13(16)20-2)8-11(21-14(17)18)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3