1-[(4-bromanylphenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C26H23BrN4O5 MolecularWeight: 551.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)C)C

InChI

InChI=1S/C26H23BrN4O5/c1-16-10-17(2)18(3)25(11-16)36-23-13-20(12-21(14-23)31(33)34)28-26(32)24-8-9-30(29-24)15-35-22-6-4-19(27)5-7-22/h4-14H,15H2,1-3H3,(H,28,32)