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

Systemtic Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-methyl-3-(5-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)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

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