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

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-fluoranyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-2-nitroaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-(4-fluoro-2-nitro-phenyl)amine Formula: C12H13FN4O2 MolecularWeight: 264.255623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13FN4O2/c1-7-10(8(2)16-15-7)6-14-11-4-3-9(13)5-12(11)17(18)19/h3-5,14H,6H2,1-2H3,(H,15,16)