(5-fluoranyl-2-nitro-phenyl) (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (5-fluoro-2-nitro-phenyl) (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid (5-fluoro-2-nitro-phenyl) ester Formula: C20H16FN3O4 MolecularWeight: 381.357143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16FN3O4/c1-13-17(14(2)23(22-13)16-6-4-3-5-7-16)9-11-20(25)28-19-12-15(21)8-10-18(19)24(26)27/h3-12H,1-2H3/b11-9+