(3Z)-3-[(4-nitrophenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3Z)-3-[(4-nitrophenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium Openeye Name: (3Z)-7-isopropyl-3-[(4-nitrophenyl)methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3Z)-3-[(4-nitrophenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium IUPAC Name: (3Z)-3-[(4-nitrophenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium Traditional Name: (3Z)-7-isopropyl-3-(4-nitrobenzylidene)-2H-1,3-benzoxazol-3-ium Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N2O3/c1-12(2)15-4-3-5-16-17(15)22-11-18(16)10-13-6-8-14(9-7-13)19(20)21/h3-10,12H,11H2,1-2H3/q+1/b18-10+