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

Systemtic Name: [4-bromanyl-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Openeye Name: [4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-bromo-2-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-bromo-2-[(E)-3-(4-fluorophenyl)acryloyl]phenyl] ester Formula: C22H13BrFNO5 MolecularWeight: 470.244723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13BrFNO5/c23-16-7-11-21(30-22(27)15-2-1-3-18(12-15)25(28)29)19(13-16)20(26)10-6-14-4-8-17(24)9-5-14/h1-13H/b10-6+