2-(1-phenylpyrazol-4-yl)-1-[2,3,4-tris(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(1-phenylpyrazol-4-yl)-1-[2,3,4-tris(oxidanyl)phenyl]ethanone Openeye Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone CAS Name: 2-(1-phenyl-4-pyrazolyl)-1-(2,3,4-trihydroxyphenyl)ethanone IUPAC Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone Traditional Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)C3=C(C(=C(C=C3)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)C3=C(C(=C(C=C3)O)O)O

InChI

InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2