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

Systemtic Name: 1,3,5-trimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-4-carboxamide Openeye Name: 1,3,5-trimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-4-carboxamide CAS Name: 1,3,5-trimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1,3,5-trimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-4-carboxamide Traditional Name: 1,3,5-trimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-4-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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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=C(N(N=C3C)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(N(N=C3C)C)C)C)C

InChI

InChI=1S/C22H24N4O4/c1-12-7-13(2)14(3)20(8-12)30-19-10-17(9-18(11-19)26(28)29)23-22(27)21-15(4)24-25(6)16(21)5/h7-11H,1-6H3,(H,23,27)