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

Systemtic Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Openeye Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylene]-1,3-benzoxazol-3-ium-2-one CAS Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one IUPAC Name: (3E)-7-tert-butyl-5-methyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Traditional Name: (3E)-7-tert-butyl-5-methyl-3-(4-nitrobenzylidene)-1,3-benzoxazol-3-ium-2-one Formula: C19H19N2O4+ MolecularWeight: 339.36516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N2O4/c1-12-9-15(19(2,3)4)17-16(10-12)20(18(22)25-17)11-13-5-7-14(8-6-13)21(23)24/h5-11H,1-4H3/q+1/b20-11+