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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(methoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(methoxymethyl)pyrazole-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-(methoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-(methoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(methoxymethyl)pyrazole-3-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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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)COC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-13-6-14(2)8-17(7-13)29-18-10-15(9-16(11-18)24(26)27)21-20(25)19-4-5-23(22-19)12-28-3/h4-11H,12H2,1-3H3,(H,21,25)