1-(4-tert-butylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-10-16-14(19(21)22)17-18(10)9-13(20)11-5-7-12(8-6-11)15(2,3)4/h5-8H,9H2,1-4H3