N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(5-nitrothiophen-2-yl)methanimine

Systemtic Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(5-nitrothiophen-2-yl)methanimine Openeye Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(5-nitro-2-thienyl)methanimine CAS Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(5-nitro-2-thiophenyl)methanimine IUPAC Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(5-nitrothiophen-2-yl)methanimine Traditional Name: [2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-[(5-nitro-2-thienyl)methylene]amine Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c1-22(2,3)15-6-4-14(5-7-15)21-24-18-12-16(8-10-19(18)28-21)23-13-17-9-11-20(29-17)25(26)27/h4-13H,1-3H3