2-(2-methylbut-3-yn-2-ylcarbamoylamino)benzoic acid

Systemtic Name: 2-(2-methylbut-3-yn-2-ylcarbamoylamino)benzoic acid Openeye Name: 2-(1,1-dimethylprop-2-ynylcarbamoylamino)benzoic acid CAS Name: 2-[[(2-methylbut-3-yn-2-ylamino)-oxomethyl]amino]benzoic acid IUPAC Name: 2-(2-methylbut-3-yn-2-ylcarbamoylamino)benzoic acid Traditional Name: 2-(1,1-dimethylprop-2-ynylcarbamoylamino)benzoic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C#C)NC(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H14N2O3/c1-4-13(2,3)15-12(18)14-10-8-6-5-7-9(10)11(16)17/h1,5-8H,2-3H3,(H,16,17)(H2,14,15,18)