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

Systemtic Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Openeye Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylene]-1,3-benzoxazol-3-ium-2-one CAS Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one IUPAC Name: (3E)-5,7-ditert-butyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Traditional Name: (3E)-5,7-ditert-butyl-3-(4-nitrobenzylidene)-1,3-benzoxazol-3-ium-2-one Formula: C22H25N2O4+ MolecularWeight: 381.4449

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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-])C(=O)O2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)/[N+](=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)O2)C(C)(C)C

InChI

InChI=1S/C22H25N2O4/c1-21(2,3)15-11-17(22(4,5)6)19-18(12-15)23(20(25)28-19)13-14-7-9-16(10-8-14)24(26)27/h7-13H,1-6H3/q+1/b23-13+