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

Systemtic Name: 4-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitro-benzamide Openeye Name: 4-methyl-3,5-dinitro-N-[2-(p-tolyl)-1,3-benzoxazol-5-yl]benzamide CAS Name: 4-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide Traditional Name: 4-methyl-3,5-dinitro-N-[2-(p-tolyl)-1,3-benzoxazol-5-yl]benzamide Formula: C22H16N4O6 MolecularWeight: 432.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O6/c1-12-3-5-14(6-4-12)22-24-17-11-16(7-8-20(17)32-22)23-21(27)15-9-18(25(28)29)13(2)19(10-15)26(30)31/h3-11H,1-2H3,(H,23,27)