prop-2-enyl 2-[5-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]-2-(2-fluoranyl-4-nitro-phenyl)ethanoate

Systemtic Name: prop-2-enyl 2-[5-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]-2-(2-fluoranyl-4-nitro-phenyl)ethanoate Openeye Name: allyl 2-[5-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl]-2-(2-fluoro-4-nitro-phenyl)acetate CAS Name: 2-[5-[(2,4-dimethylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-2-(2-fluoro-4-nitrophenyl)acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[5-(2,4-dimethylbenzoyl)-1-methylpyrrol-2-yl]-2-(2-fluoro-4-nitrophenyl)acetate Traditional Name: 2-[5-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl]-2-(2-fluoro-4-nitro-phenyl)acetic acid allyl ester Formula: C25H23FN2O5 MolecularWeight: 450.458923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2C)C(C3=C(C=C(C=C3)[N+](=O)[O-])F)C(=O)OCC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2C)C(C3=C(C=C(C=C3)[N+](=O)[O-])F)C(=O)OCC=C)C

InChI

InChI=1S/C25H23FN2O5/c1-5-12-33-25(30)23(19-9-7-17(28(31)32)14-20(19)26)21-10-11-22(27(21)4)24(29)18-8-6-15(2)13-16(18)3/h5-11,13-14,23H,1,12H2,2-4H3