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

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-cyano-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-cyano-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-22(2,3)16-4-7-18(8-5-16)31-14-26-11-10-20(25-26)21(28)24-19-9-6-17(27(29)30)12-15(19)13-23/h4-12H,14H2,1-3H3,(H,24,28)