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

Systemtic Name: (3E)-7-cyclohexyl-5-methyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-7-cyclohexyl-5-methyl-3-[(4-nitrophenyl)methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-7-cyclohexyl-5-methyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-7-cyclohexyl-5-methyl-3-[(4-nitrophenyl)methylidene]-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-7-cyclohexyl-5-methyl-3-(4-nitrobenzylidene)-2H-1,3-benzoxazol-3-ium Formula: C21H23N2O3+ MolecularWeight: 351.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3CCCCC3)OC[N+]2=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC\2=C(C(=C1)C3CCCCC3)OC/[N+]2=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N2O3/c1-15-11-19(17-5-3-2-4-6-17)21-20(12-15)22(14-26-21)13-16-7-9-18(10-8-16)23(24)25/h7-13,17H,2-6,14H2,1H3/q+1/b22-13-