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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1,3,5-trimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1,3,5-trimethylpyrazole-4-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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