2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[(1-cyano-1-methyl-ethyl)carbamoyl]benzoic acid CAS Name: 2-[(2-cyanopropan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[(1-cyano-1-methyl-ethyl)carbamoyl]benzoic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C#N)NC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-12(2,7-13)14-10(15)8-5-3-4-6-9(8)11(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)