1-[(3-tert-butylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(3-tert-butylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(3-tert-butylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(3-tert-butylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3-tert-butylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(3-tert-butylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-15(2,3)10-5-4-6-11(7-10)23-9-17-8-12(18(21)22)13(16-17)14(19)20/h4-8H,9H2,1-3H3,(H,19,20)