(4Z)-2-(1-adamantyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-(1-adamantyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1-adamantyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1-adamantyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1-adamantyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1-adamantyl)-4-(4,5-dimethoxy-2-nitro-benzylidene)-2-oxazolin-5-one Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C\2/C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N2O6/c1-28-18-7-15(17(24(26)27)8-19(18)29-2)6-16-20(25)30-21(23-16)22-9-12-3-13(10-22)5-14(4-12)11-22/h6-8,12-14H,3-5,9-11H2,1-2H3/b16-6-