1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O6/c1-28(2,3)19-5-7-23(8-6-19)37-18-31-14-13-26(30-31)27(33)29-20-15-21(32(34)35)17-25(16-20)38-24-11-9-22(36-4)10-12-24/h5-17H,18H2,1-4H3,(H,29,33)