bis(cyanomethyl) 5-tert-butylbenzene-1,3-dicarboxylate

Systemtic Name: bis(cyanomethyl) 5-tert-butylbenzene-1,3-dicarboxylate Openeye Name: bis(cyanomethyl) 5-tert-butylbenzene-1,3-dicarboxylate CAS Name: 5-tert-butylbenzene-1,3-dicarboxylic acid bis(cyanomethyl) ester IUPAC Name: bis(cyanomethyl) 5-tert-butylbenzene-1,3-dicarboxylate Traditional Name: 5-tert-butylbenzene-1,3-dicarboxylic acid bis(cyanomethyl) ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC#N)C(=O)OCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC#N)C(=O)OCC#N

InChI

InChI=1S/C16H16N2O4/c1-16(2,3)13-9-11(14(19)21-6-4-17)8-12(10-13)15(20)22-7-5-18/h8-10H,6-7H2,1-3H3