dimethyl 4-cyanobenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-cyanobenzene-1,3-dicarboxylate Openeye Name: dimethyl 4-cyanobenzene-1,3-dicarboxylate CAS Name: 4-cyanobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-cyanobenzene-1,3-dicarboxylate Traditional Name: 4-cyanobenzene-1,3-dicarboxylic acid dimethyl ester Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C#N)C(=O)OC

InChI

InChI=1S/C11H9NO4/c1-15-10(13)7-3-4-8(6-12)9(5-7)11(14)16-2/h3-5H,1-2H3