(1-azanyl-1-oxidanylidene-propan-2-yl) 2,4,6-trimethylbenzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2,4,6-trimethylbenzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)N)C

InChI

InChI=1S/C13H17NO3/c1-7-5-8(2)11(9(3)6-7)13(16)17-10(4)12(14)15/h5-6,10H,1-4H3,(H2,14,15)