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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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