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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)C)C

InChI

InChI=1S/C19H18N4O4/c1-12-6-13(2)8-16(7-12)27-17-10-14(9-15(11-17)23(25)26)20-19(24)18-4-5-22(3)21-18/h4-11H,1-3H3,(H,20,24)