(5-fluoranyl-2-nitro-phenyl) 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (5-fluoro-2-nitro-phenyl) 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (5-fluoro-2-nitro-phenyl) ester Formula: C18H14FN3O4 MolecularWeight: 355.319863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O4/c19-14-7-8-16(22(24)25)17(10-14)26-18(23)9-6-13-11-20-21(12-13)15-4-2-1-3-5-15/h1-5,7-8,10-12H,6,9H2