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

Systemtic Name: N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,5-dinitro-benzamide Formula: C16H12N6O5 MolecularWeight: 368.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5/c1-20-9-17-19-15(20)10-2-4-12(5-3-10)18-16(23)11-6-13(21(24)25)8-14(7-11)22(26)27/h2-9H,1H3,(H,18,23)