sodium 2-(3-chloranyl-4-oxidanyl-phenyl)-2-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]ethanoate

Systemtic Name: sodium 2-(3-chloranyl-4-oxidanyl-phenyl)-2-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]ethanoate Openeye Name: sodium 2-(3-chloro-4-hydroxy-phenyl)-2-[[(Z)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]acetate CAS Name: sodium 2-(3-chloro-4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate IUPAC Name: sodium 2-(3-chloro-4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate Traditional Name: sodium 2-(3-chloro-4-hydroxy-phenyl)-2-[[(Z)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]acetate Formula: C13H13ClNNaO5 MolecularWeight: 321.68879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C/C(=O)OC)/NC(C1=CC(=C(C=C1)O)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H14ClNO5.Na/c1-7(5-11(17)20-2)15-12(13(18)19)8-3-4-10(16)9(14)6-8;/h3-6,12,15-16H,1-2H3,(H,18,19);/q;+1/p-1/b7-5-;