sodium 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]ethanoate Openeye Name: sodium 2-[4-[(E)-2-cyano-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetate CAS Name: sodium 2-[4-[(E)-2-cyano-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenoxy]acetate IUPAC Name: sodium 2-[4-[(E)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]acetate Traditional Name: sodium 2-[4-[(E)-2-cyano-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetate Formula: C18H14N3NaO4 MolecularWeight: 359.31123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C(=CC2=CC=C(C=C2)OCC(=O)[O-])C#N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4.Na/c19-9-15(18(24)21-11-14-2-1-7-20-10-14)8-13-3-5-16(6-4-13)25-12-17(22)23;/h1-8,10H,11-12H2,(H,21,24)(H,22,23);/q;+1/p-1/b15-8+;