4-[1-oxidanylidene-1-[2,4,5-tris(oxidanyl)phenyl]propan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[1-oxidanylidene-1-[2,4,5-tris(oxidanyl)phenyl]propan-2-yl]benzenecarbonitrile Openeye Name: 4-[1-methyl-2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]benzonitrile CAS Name: 4-[1-oxo-1-(2,4,5-trihydroxyphenyl)propan-2-yl]benzonitrile IUPAC Name: 4-[1-oxo-1-(2,4,5-trihydroxyphenyl)propan-2-yl]benzonitrile Traditional Name: 4-[2-keto-1-methyl-2-(2,4,5-trihydroxyphenyl)ethyl]benzonitrile Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)C(=O)C2=CC(=C(C=C2O)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)C(=O)C2=CC(=C(C=C2O)O)O

InChI

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