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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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