(2R)-2-(4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]azaniumyl]ethanoate

Systemtic Name: (2R)-2-(4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]azaniumyl]ethanoate Openeye Name: (2R)-2-(4-hydroxyphenyl)-2-[[(E)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]ammonio]acetate CAS Name: (2R)-2-(4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]ammonio]acetate IUPAC Name: (2R)-2-(4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]azaniumyl]acetate Traditional Name: (2R)-2-(4-hydroxyphenyl)-2-[[(E)-3-keto-3-methoxy-1-methyl-prop-1-enyl]ammonio]acetate Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9/h3-7,12,14-15H,1-2H3,(H,17,18)/b8-7+/t12-/m1/s1