2-ethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: 2-ethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 2-ethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-5-24-20(18(11-22-24)26(30)31)21(27)23-15-8-16(25(28)29)10-17(9-15)32-19-7-12(2)6-13(3)14(19)4/h6-11H,5H2,1-4H3,(H,23,27)