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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-mesityl-acetamide Formula: C13H14BrN5O3 MolecularWeight: 368.18596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN5O3/c1-7-4-8(2)11(9(3)5-7)15-10(20)6-18-12(14)16-13(17-18)19(21)22/h4-5H,6H2,1-3H3,(H,15,20)