sodium (2S)-2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]propanoate

Systemtic Name: sodium (2S)-2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]propanoate Openeye Name: sodium (2S)-2-[[(E)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]propanoate CAS Name: sodium (2S)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]propanoate IUPAC Name: sodium (2S)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]propanoate Traditional Name: sodium (2S)-2-[[(E)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]propionate Formula: C8H12NNaO4 MolecularWeight: 209.17495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=CC(=O)OC)C.[Na+]

Isomeric SMILES

C[C@@H](C(=O)[O-])N/C(=C/C(=O)OC)/C.[Na+]

InChI

InChI=1S/C8H13NO4.Na/c1-5(4-7(10)13-3)9-6(2)8(11)12;/h4,6,9H,1-3H3,(H,11,12);/q;+1/p-1/b5-4+;/t6-;/m0./s1