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

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C27H25ClN4O5 MolecularWeight: 520.9642

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O5/c1-27(2,3)18-4-8-22(9-5-18)36-17-31-13-12-25(30-31)26(33)29-20-14-21(32(34)35)16-24(15-20)37-23-10-6-19(28)7-11-23/h4-16H,17H2,1-3H3,(H,29,33)