N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C20H19N5O6 MolecularWeight: 425.39476

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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(C(=NN3C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O6/c1-11-5-12(2)7-16(6-11)31-17-9-14(8-15(10-17)24(27)28)21-20(26)19-18(25(29)30)13(3)22-23(19)4/h5-10H,1-4H3,(H,21,26)