1-[(4-tert-butylphenyl)methyl]-4-nitro-imidazole

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-nitro-imidazole Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-nitro-imidazole CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-nitroimidazole IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-nitroimidazole Traditional Name: 1-(4-tert-butylbenzyl)-4-nitro-imidazole Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)12-6-4-11(5-7-12)8-16-9-13(15-10-16)17(18)19/h4-7,9-10H,8H2,1-3H3