1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole Traditional Name: 1-(4-tert-butylbenzyl)-3-nitro-1,2,4-triazole Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2/c1-13(2,3)11-6-4-10(5-7-11)8-16-9-14-12(15-16)17(18)19/h4-7,9H,8H2,1-3H3