3-[3,5-bis(trifluoromethyl)phenyl]-7-(hydroxymethyl)-1H-cinnolin-5-one

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-7-(hydroxymethyl)-1H-cinnolin-5-one Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-7-(hydroxymethyl)-1H-cinnolin-5-one CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-7-(hydroxymethyl)-1H-cinnolin-5-one IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-7-(hydroxymethyl)-1H-cinnolin-5-one Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-7-methylol-1H-cinnolin-5-one Formula: C17H10F6N2O2 MolecularWeight: 388.263919

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=CC(=NN2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C1=O)CO

Isomeric SMILES

C1=C(C=C2C(=CC(=NN2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C1=O)CO

InChI

InChI=1S/C17H10F6N2O2/c18-16(19,20)10-3-9(4-11(5-10)17(21,22)23)13-6-12-14(25-24-13)1-8(7-26)2-15(12)27/h1-6,25-26H,7H2