2-[[2-(3-acetamidophenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[2-(3-acetamidophenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2-(3-acetamidophenyl)-2-oxo-ethyl]-methyl-ammonio]acetate CAS Name: 2-[[2-(3-acetamidophenyl)-2-oxoethyl]-methylammonio]acetate IUPAC Name: 2-[[2-(3-acetamidophenyl)-2-oxoethyl]-methylazaniumyl]acetate Traditional Name: 2-[[2-(3-acetamidophenyl)-2-keto-ethyl]-methyl-ammonio]acetate Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)C[NH+](C)CC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)C[NH+](C)CC(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-9(16)14-11-5-3-4-10(6-11)12(17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,14,16)(H,18,19)