N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoranyl-3-nitro-benzamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoranyl-3-nitro-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoro-3-nitro-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-fluoro-3-nitrobenzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-3-nitrobenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoro-3-nitro-benzamide Formula: C19H17FN4O3 MolecularWeight: 368.361683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O3/c1-12-16(13(2)23(22-12)15-6-4-3-5-7-15)11-21-19(25)14-8-9-17(20)18(10-14)24(26)27/h3-10H,11H2,1-2H3,(H,21,25)