N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoranyl-2-nitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoranyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoro-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-fluoro-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-2-nitroaniline Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(4-fluoro-2-nitro-phenyl)amine Formula: C18H17FN4O2 MolecularWeight: 340.351583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O2/c1-12-16(13(2)22(21-12)15-6-4-3-5-7-15)11-20-17-9-8-14(19)10-18(17)23(24)25/h3-10,20H,11H2,1-2H3