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

Systemtic Name: N-(2,6-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3/c1-8-4-3-5-9(2)11(8)14-10(18)6-16-7-13-12(15-16)17(19)20/h3-5,7H,6H2,1-2H3,(H,14,18)