1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[[4-(1,1-dimethylpropyl)phenoxy]methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-tert-amylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-4-16(2,3)11-5-7-12(8-6-11)24-10-18-9-13(19(22)23)14(17-18)15(20)21/h5-9H,4,10H2,1-3H3,(H,20,21)