5-[3-(4-cyano-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[3-(4-cyano-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[3-(4-cyano-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[3-(4-cyano-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[3-(4-cyano-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[3-(4-cyano-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O)C#N

InChI

InChI=1S/C21H17NO8/c1-27-18-7-14(6-5-12(18)9-22)28-10-13(23)11-29-16-3-2-4-17-20(16)15(24)8-19(30-17)21(25)26/h2-8,13,23H,10-11H2,1H3,(H,25,26)