[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]-5-methoxyphenyl] ester IUPAC Name: [2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(E)-3-(4-fluorophenyl)acryloyl]-5-methoxy-phenyl] ester Formula: C23H16FNO6 MolecularWeight: 421.374643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16FNO6/c1-30-19-11-12-20(21(26)13-4-15-2-7-17(24)8-3-15)22(14-19)31-23(27)16-5-9-18(10-6-16)25(28)29/h2-14H,1H3/b13-4+