(2S)-2-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[(Z)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[[(Z)-3-keto-3-methoxy-1-methyl-prop-1-enyl]ammonio]-2-phenyl-acetate Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)[NH2+]C(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C/C(=C/C(=O)OC)/[NH2+][C@@H](C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10/h3-8,12,14H,1-2H3,(H,16,17)/b9-8-/t12-/m0/s1