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

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3/c1-8-4-9(2)12(10(3)5-8)15-11(19)6-17-7-14-13(16-17)18(20)21/h4-5,7H,6H2,1-3H3,(H,15,19)