sodium 2-[4-(3-azanyl-3-oxidanylidene-propyl)-2-methoxy-phenoxy]ethanoate

Systemtic Name: sodium 2-[4-(3-azanyl-3-oxidanylidene-propyl)-2-methoxy-phenoxy]ethanoate Openeye Name: sodium 2-[4-(3-amino-3-oxo-propyl)-2-methoxy-phenoxy]acetate CAS Name: sodium 2-[4-(3-amino-3-oxopropyl)-2-methoxyphenoxy]acetate IUPAC Name: sodium 2-[4-(3-amino-3-oxopropyl)-2-methoxyphenoxy]acetate Traditional Name: sodium 2-[4-(3-amino-3-keto-propyl)-2-methoxy-phenoxy]acetate Formula: C12H14NNaO5 MolecularWeight: 275.23303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)N)OCC(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)N)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C12H15NO5.Na/c1-17-10-6-8(3-5-11(13)14)2-4-9(10)18-7-12(15)16;/h2,4,6H,3,5,7H2,1H3,(H2,13,14)(H,15,16);/q;+1/p-1