3-(4-methoxy-3-nitro-phenyl)-5-oxidanyl-7-oxidanylidene-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 3-(4-methoxy-3-nitro-phenyl)-5-oxidanyl-7-oxidanylidene-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-hydroxy-3-(4-methoxy-3-nitro-phenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-hydroxy-3-(4-methoxy-3-nitrophenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-hydroxy-3-(4-methoxy-3-nitrophenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-hydroxy-7-keto-3-(4-methoxy-3-nitro-phenyl)-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-3-4-13-16(12-5-6-15(30-2)14(7-12)25(28)29)19(10-22,11-23)18(9-21)8-20(13,27)24-17(18)26/h5-7,13,16,27H,3-4,8H2,1-2H3,(H,24,26)