1-[(4-tert-butyl-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

InChI

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