(3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-5,7-ditert-butyl-3-(4-nitrobenzylidene)-2H-1,3-benzoxazol-3-ium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)[N+](=CC3=CC=C(C=C3)[N+](=O)[O-])CO2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)/[N+](=C\C3=CC=C(C=C3)[N+](=O)[O-])/CO2)C(C)(C)C

InChI

InChI=1S/C22H27N2O3/c1-21(2,3)16-11-18(22(4,5)6)20-19(12-16)23(14-27-20)13-15-7-9-17(10-8-15)24(25)26/h7-13H,14H2,1-6H3/q+1/b23-13-