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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propionamide Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O6/c1-12-6-13(2)15(4)20(7-12)33-19-10-17(9-18(11-19)26(29)30)23-22(28)16(5)25-14(3)8-21(24-25)27(31)32/h6-11,16H,1-5H3,(H,23,28)