1-tert-butyl-3-(2-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-(2-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(2-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(2-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(2-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(2-nitrophenyl)pyrazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

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