3-(2,2-dimethylpropanoylamino)-4-methyl-benzoate

Systemtic Name: 3-(2,2-dimethylpropanoylamino)-4-methyl-benzoate Openeye Name: 3-(2,2-dimethylpropanoylamino)-4-methyl-benzoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-methylbenzoate IUPAC Name: 3-(2,2-dimethylpropanoylamino)-4-methylbenzoate Traditional Name: 4-methyl-3-(pivaloylamino)benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C(C)(C)C

InChI

InChI=1S/C13H17NO3/c1-8-5-6-9(11(15)16)7-10(8)14-12(17)13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)/p-1