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

Systemtic Name: 2-(1-adamantyl)-4-[[4-(dimethylamino)-3-nitro-phenyl]methylidene]-1,3-oxazol-5-one Openeye Name: 2-(1-adamantyl)-4-[[4-(dimethylamino)-3-nitro-phenyl]methylene]oxazol-5-one CAS Name: 2-(1-adamantyl)-4-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-5-oxazolone IUPAC Name: 2-(1-adamantyl)-4-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1,3-oxazol-5-one Traditional Name: 2-(1-adamantyl)-4-[4-(dimethylamino)-3-nitro-benzylidene]-2-oxazolin-5-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-24(2)18-4-3-13(9-19(18)25(27)28)8-17-20(26)29-21(23-17)22-10-14-5-15(11-22)7-16(6-14)12-22/h3-4,8-9,14-16H,5-7,10-12H2,1-2H3