N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-13-4-5-14(2)20(6-13)32-19-8-16(7-17(9-19)25(28)29)23-21(27)15(3)11-24-12-18(10-22-24)26(30)31/h4-10,12,15H,11H2,1-3H3,(H,23,27)