N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide CAS Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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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)CN4C=CC=N4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=CC=N4)C)C

InChI

InChI=1S/C23H22N6O4/c1-15-9-16(2)17(3)22(10-15)33-20-12-18(11-19(13-20)29(31)32)25-23(30)21-5-8-28(26-21)14-27-7-4-6-24-27/h4-13H,14H2,1-3H3,(H,25,30)