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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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