1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-13-4-5-17(19(11-13)24(26)27)21-20(25)18-6-7-23(22-18)12-28-16-9-14(2)8-15(3)10-16/h4-11H,12H2,1-3H3,(H,21,25)