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

Systemtic Name: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C22H16N4O6 MolecularWeight: 432.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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