(2S)-2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]ammonio]-2-phenyl-acetate Formula: C14H17NO4 MolecularWeight: 263.28908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11/h4-9,13,15H,3H2,1-2H3,(H,17,18)/b10-9+/t13-/m0/s1