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

Systemtic Name: [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-(4-fluorophenyl)acryloyl]phenyl] ester Formula: C22H14FNO5 MolecularWeight: 391.348663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H14FNO5/c23-18-9-4-15(5-10-18)6-13-21(25)16-7-11-20(12-8-16)29-22(26)17-2-1-3-19(14-17)24(27)28/h1-14H/b13-6+