N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide Formula: C23H18N4O6 MolecularWeight: 446.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O6/c1-12-8-18-21(9-13(12)2)33-23(25-18)15-4-6-17(7-5-15)24-22(28)16-10-19(26(29)30)14(3)20(11-16)27(31)32/h4-11H,1-3H3,(H,24,28)