4-(4-tert-butyl-2-nitro-phenyl)-1H-pyrazole

Systemtic Name: 4-(4-tert-butyl-2-nitro-phenyl)-1H-pyrazole Openeye Name: 4-(4-tert-butyl-2-nitro-phenyl)-1H-pyrazole CAS Name: 4-(4-tert-butyl-2-nitrophenyl)-1H-pyrazole IUPAC Name: 4-(4-tert-butyl-2-nitrophenyl)-1H-pyrazole Traditional Name: 4-(4-tert-butyl-2-nitro-phenyl)-1H-pyrazole Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-13(2,3)10-4-5-11(9-7-14-15-8-9)12(6-10)16(17)18/h4-8H,1-3H3,(H,14,15)