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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=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/c23-19-4-2-1-3-14(19)7-11-20(26)18-13-16(24)8-12-21(18)30-22(27)15-5-9-17(10-6-15)25(28)29/h1-13H/b11-7+