dimethyl 2-(4-cyano-2-nitro-phenyl)propanedioate

Systemtic Name: dimethyl 2-(4-cyano-2-nitro-phenyl)propanedioate Openeye Name: dimethyl 2-(4-cyano-2-nitro-phenyl)propanedioate CAS Name: 2-(4-cyano-2-nitrophenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-cyano-2-nitrophenyl)propanedioate Traditional Name: 2-(4-cyano-2-nitro-phenyl)malonic acid dimethyl ester Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6/c1-19-11(15)10(12(16)20-2)8-4-3-7(6-13)5-9(8)14(17)18/h3-5,10H,1-2H3