N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-12-11-14(7-10-16(12)25(27)28)18(26)22-19-21-17(23-24-19)13-5-8-15(9-6-13)20(2,3)4/h5-11H,1-4H3,(H2,21,22,23,24,26)