3-(4-hydroxyphenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 3-(4-hydroxyphenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-hydroxy-3-(4-hydroxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-hydroxy-3-(4-hydroxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-keto-4-methyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)O

Isomeric SMILES

CC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H14N4O3/c1-10-13(11-2-4-12(22)5-3-11)16(8-19,9-20)15(7-18)6-17(10,24)21-14(15)23/h2-5,10,13,22,24H,6H2,1H3,(H,21,23)