dimethyl 5-(2-cyanophenyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-cyanophenyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-cyanophenyl)benzene-1,3-dicarboxylate CAS Name: 5-(2-cyanophenyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-cyanophenyl)benzene-1,3-dicarboxylate Traditional Name: 5-(2-cyanophenyl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H13NO4 MolecularWeight: 295.28942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2C#N)C(=O)OC

InChI

InChI=1S/C17H13NO4/c1-21-16(19)13-7-12(8-14(9-13)17(20)22-2)15-6-4-3-5-11(15)10-18/h3-9H,1-2H3