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

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5/c1-5-31-18-10-11-19(21(14-18)27(29)30)24-22(28)20-12-13-26(25-20)15-32-17-8-6-16(7-9-17)23(2,3)4/h6-14H,5,15H2,1-4H3,(H,24,28)