N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)acetamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-20(2,3)14-10-8-13(9-11-14)18-22-19(24-23-18)21-17(26)12-29-16-7-5-4-6-15(16)25(27)28/h4-11H,12H2,1-3H3,(H2,21,22,23,24,26)