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

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-methyl-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-methyl-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N4O4/c1-15-13-17(26(28)29)7-10-19(15)23-21(27)20-11-12-25(24-20)14-30-18-8-5-16(6-9-18)22(2,3)4/h5-13H,14H2,1-4H3,(H,23,27)