N-(2-methoxy-4-methyl-phenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-methoxy-4-methyl-phenyl)-3,5-dinitro-benzamide Openeye Name: N-(2-methoxy-4-methyl-phenyl)-3,5-dinitro-benzamide CAS Name: N-(2-methoxy-4-methylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(2-methoxy-4-methylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(2-methoxy-4-methyl-phenyl)-3,5-dinitro-benzamide Formula: C15H13N3O6 MolecularWeight: 331.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C15H13N3O6/c1-9-3-4-13(14(5-9)24-2)16-15(19)10-6-11(17(20)21)8-12(7-10)18(22)23/h3-8H,1-2H3,(H,16,19)