5-tert-butyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-14(2,3)12-8-11(13(18)19)15-16(12)9-4-6-10(7-5-9)17(20)21/h4-8H,1-3H3,(H,18,19)