1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N5O6/c1-12-6-13(2)8-16(7-12)31-11-23-5-4-17(22-23)20(26)21-15-9-18(24(27)28)14(3)19(10-15)25(29)30/h4-10H,11H2,1-3H3,(H,21,26)