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

Systemtic Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 3-nitrobenzoate Openeye Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluoro-phenyl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-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(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)F)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClFNO5/c23-16-7-4-14(5-8-16)6-10-20(26)19-13-17(24)9-11-21(19)30-22(27)15-2-1-3-18(12-15)25(28)29/h1-13H/b10-6+