dimethyl 2-(4-pyrrol-1-ylphenyl)propanedioate

Systemtic Name: dimethyl 2-(4-pyrrol-1-ylphenyl)propanedioate Openeye Name: dimethyl 2-(4-pyrrol-1-ylphenyl)propanedioate CAS Name: 2-[4-(1-pyrrolyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-pyrrol-1-ylphenyl)propanedioate Traditional Name: 2-(4-pyrrol-1-ylphenyl)malonic acid dimethyl ester Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)N2C=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)N2C=CC=C2)C(=O)OC

InChI

InChI=1S/C15H15NO4/c1-19-14(17)13(15(18)20-2)11-5-7-12(8-6-11)16-9-3-4-10-16/h3-10,13H,1-2H3