3-(4-methoxyphenyl)-4,8-dimethyl-5-oxidanyl-7-oxidanylidene-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 3-(4-methoxyphenyl)-4,8-dimethyl-5-oxidanyl-7-oxidanylidene-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-hydroxy-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-hydroxy-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-hydroxy-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-hydroxy-7-keto-3-(4-methoxyphenyl)-4,8-dimethyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2(C(C1(NC2=O)O)C)C#N)(C#N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1C(C(C2(C(C1(NC2=O)O)C)C#N)(C#N)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18N4O3/c1-11-15(13-4-6-14(26-3)7-5-13)17(8-20,9-21)18(10-22)12(2)19(11,25)23-16(18)24/h4-7,11-12,15,25H,1-3H3,(H,23,24)