3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate

Systemtic Name: 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate Openeye Name: 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate CAS Name: 3-tert-butyl-5-[(2-cyanoethylamino)-oxomethyl]benzoate IUPAC Name: 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate Traditional Name: 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate Formula: C15H17N2O3- MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)[O-])C(=O)NCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)[O-])C(=O)NCCC#N

InChI

InChI=1S/C15H18N2O3/c1-15(2,3)12-8-10(7-11(9-12)14(19)20)13(18)17-6-4-5-16/h7-9H,4,6H2,1-3H3,(H,17,18)(H,19,20)/p-1