sodium 2-[[3-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]-4-oxidanylidene-2H-1,2-benzoxazol-6-yl]oxy]ethanoate

Systemtic Name: sodium 2-[[3-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]-4-oxidanylidene-2H-1,2-benzoxazol-6-yl]oxy]ethanoate Openeye Name: sodium 2-[[3-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]acetate CAS Name: sodium 2-[[3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]acetate IUPAC Name: sodium 2-[[3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]acetate Traditional Name: sodium 2-[[3-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-4-keto-2H-indoxazen-6-yl]oxy]acetate Formula: C18H16NNaO7 MolecularWeight: 381.31191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=CC3=O)OCC(=O)[O-])ON2)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=CC3=O)OCC(=O)[O-])ON2)O.[Na+]

InChI

InChI=1S/C18H17NO7.Na/c1-24-15-5-3-10(6-13(15)20)2-4-12-18-14(21)7-11(25-9-17(22)23)8-16(18)26-19-12;/h3,5-8,19-20H,2,4,9H2,1H3,(H,22,23);/q;+1/p-1