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

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-3-nitro-benzamide 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)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-20(2,3)14-8-5-12(6-9-14)17-21-19(24-23-17)22-18(26)13-7-10-16(29-4)15(11-13)25(27)28/h5-11H,1-4H3,(H2,21,22,23,24,26)