4-(5-azanyl-3-tert-butyl-pyrazol-1-yl)benzoate

Systemtic Name: 4-(5-azanyl-3-tert-butyl-pyrazol-1-yl)benzoate Openeye Name: 4-(5-amino-3-tert-butyl-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-3-tert-butyl-1-pyrazolyl)benzoate IUPAC Name: 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-3-tert-butyl-pyrazol-1-yl)benzoate Formula: C14H16N3O2- MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)11-8-12(15)17(16-11)10-6-4-9(5-7-10)13(18)19/h4-8H,15H2,1-3H3,(H,18,19)/p-1