methyl 2-[3,5-bis(oxidanyl)phenyl]-2-(3-cyanophenyl)ethanoate

Systemtic Name: methyl 2-[3,5-bis(oxidanyl)phenyl]-2-(3-cyanophenyl)ethanoate Openeye Name: methyl 2-(3-cyanophenyl)-2-(3,5-dihydroxyphenyl)acetate CAS Name: 2-(3-cyanophenyl)-2-(3,5-dihydroxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-cyanophenyl)-2-(3,5-dihydroxyphenyl)acetate Traditional Name: 2-(3-cyanophenyl)-2-(3,5-dihydroxyphenyl)acetic acid methyl ester Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC(=C1)C#N)C2=CC(=CC(=C2)O)O

Isomeric SMILES

COC(=O)C(C1=CC=CC(=C1)C#N)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C16H13NO4/c1-21-16(20)15(11-4-2-3-10(5-11)9-17)12-6-13(18)8-14(19)7-12/h2-8,15,18-19H,1H3