[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 4-nitrobenzoate

Systemtic Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 4-nitrobenzoate Openeye Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluoro-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-4-fluorophenyl] ester IUPAC Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(E)-3-(4-chlorophenyl)acryloyl]-4-fluoro-phenyl] ester Formula: C22H13ClFNO5 MolecularWeight: 425.793723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H13ClFNO5/c23-16-6-1-14(2-7-16)3-11-20(26)19-13-17(24)8-12-21(19)30-22(27)15-4-9-18(10-5-15)25(28)29/h1-13H/b11-3+