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

Systemtic Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-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)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

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