sodium 2-[3-oxidanyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[3-oxidanyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]ethanoate Openeye Name: sodium 2-[3-hydroxy-4-[(E)-3-(3-pyridyl)prop-2-enoyl]phenoxy]acetate CAS Name: sodium 2-[3-hydroxy-4-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]phenoxy]acetate IUPAC Name: sodium 2-[3-hydroxy-4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate Traditional Name: sodium 2-[3-hydroxy-4-[(E)-3-(3-pyridyl)acryloyl]phenoxy]acetate Formula: C16H12NNaO5 MolecularWeight: 321.25995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=CC(=O)C2=C(C=C(C=C2)OCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)/C=C/C(=O)C2=C(C=C(C=C2)OCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H13NO5.Na/c18-14(6-3-11-2-1-7-17-9-11)13-5-4-12(8-15(13)19)22-10-16(20)21;/h1-9,19H,10H2,(H,20,21);/q;+1/p-1/b6-3+;