4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H16FN3O3 MolecularWeight: 341.336343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3