N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide Formula: C25H22N4O6 MolecularWeight: 474.46538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6/c1-14-20(28(31)32)11-16(12-21(14)29(33)34)23(30)26-18-9-10-22-19(13-18)27-24(35-22)15-5-7-17(8-6-15)25(2,3)4/h5-13H,1-4H3,(H,26,30)