(3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-benzoxazol-3-ium-2-one

Systemtic Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Openeye Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylene]-1,3-benzoxazol-3-ium-2-one CAS Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-benzoxazol-3-ium-2-one IUPAC Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Traditional Name: (3E)-7-tert-butyl-5-methyl-3-(3,4,5-trimethoxybenzylidene)-1,3-benzoxazol-3-ium-2-one Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)O2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)/[N+](=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)O2)C(C)(C)C

InChI

InChI=1S/C22H26NO5/c1-13-8-15(22(2,3)4)19-16(9-13)23(21(24)28-19)12-14-10-17(25-5)20(27-7)18(11-14)26-6/h8-12H,1-7H3/q+1/b23-12+