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

Systemtic Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-7-tert-butyl-5-methyl-3-(4-nitrobenzylidene)-2H-1,3-benzoxazol-3-ium Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=CC3=CC=C(C=C3)[N+](=O)[O-])CO2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)/[N+](=C\C3=CC=C(C=C3)[N+](=O)[O-])/CO2)C(C)(C)C

InChI

InChI=1S/C19H21N2O3/c1-13-9-16(19(2,3)4)18-17(10-13)20(12-24-18)11-14-5-7-15(8-6-14)21(22)23/h5-11H,12H2,1-4H3/q+1/b20-11-