5-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-13-11-14(5-10-17(13)24(25)26)19-21-18(22-23-19)12-27-16-8-6-15(7-9-16)20(2,3)4/h5-11H,12H2,1-4H3,(H,21,22,23)