2,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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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=CC(=NN3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3C)C)C)C

InChI

InChI=1S/C21H22N4O4/c1-12-6-13(2)15(4)20(7-12)29-18-10-16(9-17(11-18)25(27)28)22-21(26)19-8-14(3)23-24(19)5/h6-11H,1-5H3,(H,22,26)