2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C14H17N5O3 MolecularWeight: 303.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])C)C

InChI

InChI=1S/C14H17N5O3/c1-8-5-9(2)13(10(3)6-8)16-12(20)7-18-11(4)15-14(17-18)19(21)22/h5-6H,7H2,1-4H3,(H,16,20)