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

Systemtic Name: N-tert-butyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanamide Openeye Name: N-tert-butyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide CAS Name: N-tert-butyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide IUPAC Name: N-tert-butyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide Traditional Name: N-tert-butyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3/c1-14(2,3)16-12(20)8-11-15-13(18-17-11)9-4-6-10(7-5-9)19(21)22/h4-7H,8H2,1-3H3,(H,16,20)(H,15,17,18)