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

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 3-nitrobenzoate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-fluorophenyl] ester IUPAC Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-fluoro-phenyl] ester Formula: C24H18FNO7 MolecularWeight: 451.400623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18FNO7/c1-31-22-10-7-15(12-23(22)32-2)6-9-20(27)19-14-17(25)8-11-21(19)33-24(28)16-4-3-5-18(13-16)26(29)30/h3-14H,1-2H3/b9-6+