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

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3/c1-19(2,3)14-8-4-12(5-9-14)16-20-18(23-22-16)21-17(25)13-6-10-15(11-7-13)24(26)27/h4-11H,1-3H3,(H2,20,21,22,23,25)