dimethyl 2-[2-(3-nitrophenyl)-2-nitrosooxy-ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(3-nitrophenyl)-2-nitrosooxy-ethyl]propanedioate Openeye Name: dimethyl 2-[2-(3-nitrophenyl)-2-nitrosooxy-ethyl]propanedioate CAS Name: 2-[2-(3-nitrophenyl)-2-nitrosooxyethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(3-nitrophenyl)-2-nitrosooxyethyl]propanedioate Traditional Name: 2-[2-(3-nitrophenyl)-2-nitrosooxy-ethyl]malonic acid dimethyl ester Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8/c1-21-12(16)10(13(17)22-2)7-11(23-14-18)8-4-3-5-9(6-8)15(19)20/h3-6,10-11H,7H2,1-2H3