2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]acetamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H21N5O6/c1-12-5-13(2)7-18(6-12)32-19-9-16(8-17(10-19)25(28)29)22-20(27)11-24-15(4)21(26(30)31)14(3)23-24/h5-10H,11H2,1-4H3,(H,22,27)