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

Systemtic Name: ethyl 5-[3-(4-cyano-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-[3-(4-cyano-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: 5-[3-(4-cyano-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-cyano-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: 5-[3-(4-cyano-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C23H21NO8 MolecularWeight: 439.41474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC(=C(C=C3)C#N)OC)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC(=C(C=C3)C#N)OC)O

InChI

InChI=1S/C23H21NO8/c1-3-29-23(27)21-10-17(26)22-18(5-4-6-19(22)32-21)31-13-15(25)12-30-16-8-7-14(11-24)20(9-16)28-2/h4-10,15,25H,3,12-13H2,1-2H3