dimethyl 1-(3-cyanophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl 1-(3-cyanophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl 1-(3-cyanophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: 1-(3-cyanophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(3-cyanophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: 1-(3-cyanophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C17H15NO4 MolecularWeight: 297.3053

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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/C17H15NO4/c1-21-15(19)13-6-4-8-17(10-13,16(20)22-2)14-7-3-5-12(9-14)11-18/h3-9H,10H2,1-2H3