sodium (2R)-3-(4-hydroxyphenyl)-2-(prop-2-enoylamino)propanoate

Systemtic Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(prop-2-enoylamino)propanoate Openeye Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(prop-2-enoylamino)propanoate CAS Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(1-oxoprop-2-enylamino)propanoate IUPAC Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(prop-2-enoylamino)propanoate Traditional Name: sodium (2R)-2-acrylamido-3-(4-hydroxyphenyl)propionate Formula: C12H12NNaO4 MolecularWeight: 257.21775

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-].[Na+]

Isomeric SMILES

C=CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H13NO4.Na/c1-2-11(15)13-10(12(16)17)7-8-3-5-9(14)6-4-8;/h2-6,10,14H,1,7H2,(H,13,15)(H,16,17);/q;+1/p-1/t10-;/m1./s1