2-[5-(4-cyanophenyl)carbonyl-2-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-(4-cyanophenyl)carbonyl-2-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[5-(4-cyanobenzoyl)-2-hydroxy-phenyl]acetic acid CAS Name: 2-[5-[(4-cyanophenyl)-oxomethyl]-2-hydroxyphenyl]acetic acid IUPAC Name: 2-[5-(4-cyanobenzoyl)-2-hydroxyphenyl]acetic acid Traditional Name: 2-[5-(4-cyanobenzoyl)-2-hydroxy-phenyl]acetic acid Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C2=CC(=C(C=C2)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)C2=CC(=C(C=C2)O)CC(=O)O

InChI

InChI=1S/C16H11NO4/c17-9-10-1-3-11(4-2-10)16(21)12-5-6-14(18)13(7-12)8-15(19)20/h1-7,18H,8H2,(H,19,20)