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

Systemtic Name: 1-(4-tert-butylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3/c1-14(2,3)11-6-4-10(5-7-11)12(19)8-17-9-15-13(16-17)18(20)21/h4-7,9H,8H2,1-3H3