1-[(4-tert-butylphenoxy)methyl]-N-(4-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(4-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-hydroxy-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-hydroxy-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N4O5/c1-21(2,3)14-4-7-16(8-5-14)30-13-24-11-10-18(23-24)20(27)22-17-9-6-15(25(28)29)12-19(17)26/h4-12,26H,13H2,1-3H3,(H,22,27)