5-tert-butyl-1-(3-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(3-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(3-nitrophenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(3-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(3-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(3-nitrophenyl)triazole-4-carboxylic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N4O4/c1-13(2,3)11-10(12(18)19)14-15-16(11)8-5-4-6-9(7-8)17(20)21/h4-7H,1-3H3,(H,18,19)