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

Systemtic Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C29H30N4O5 MolecularWeight: 514.5723

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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)C(C)C)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)C(C)C)C)C

InChI

InChI=1S/C29H30N4O5/c1-18(2)22-6-8-25(9-7-22)37-17-32-11-10-27(31-32)29(34)30-23-14-24(33(35)36)16-26(15-23)38-28-13-19(3)12-20(4)21(28)5/h6-16,18H,17H2,1-5H3,(H,30,34)