N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[2-(o-tolyl)-1,3-benzoxazol-6-yl]benzamide CAS Name: N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[2-(o-tolyl)-1,3-benzoxazol-6-yl]benzamide Formula: C21H14N4O6 MolecularWeight: 418.35906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6/c1-12-4-2-3-5-17(12)21-23-18-7-6-14(10-19(18)31-21)22-20(26)13-8-15(24(27)28)11-16(9-13)25(29)30/h2-11H,1H3,(H,22,26)