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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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