4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-fluoranylphenoxy)ethyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-fluoranylphenoxy)ethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-fluorophenoxy)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(4-fluorophenoxy)ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(4-fluorophenoxy)ethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-fluorophenoxy)ethyl]benzamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O4/c1-14-20(26(28)29)15(2)25(24-14)13-16-3-5-17(6-4-16)21(27)23-11-12-30-19-9-7-18(22)8-10-19/h3-10H,11-13H2,1-2H3,(H,23,27)