[3-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl] 2-(2-fluoranyl-4-nitro-phenyl)ethanoate

Systemtic Name: [3-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl] 2-(2-fluoranyl-4-nitro-phenyl)ethanoate Openeye Name: [3-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl] 2-(2-fluoro-4-nitro-phenyl)acetate CAS Name: 2-(2-fluoro-4-nitrophenyl)acetic acid [3-[(2,4-dimethylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: [3-(2,4-dimethylbenzoyl)-1-methylpyrrol-2-yl] 2-(2-fluoro-4-nitrophenyl)acetate Traditional Name: 2-(2-fluoro-4-nitro-phenyl)acetic acid [3-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl] ester Formula: C22H19FN2O5 MolecularWeight: 410.395063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(N(C=C2)C)OC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(N(C=C2)C)OC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])F)C

InChI

InChI=1S/C22H19FN2O5/c1-13-4-7-17(14(2)10-13)21(27)18-8-9-24(3)22(18)30-20(26)11-15-5-6-16(25(28)29)12-19(15)23/h4-10,12H,11H2,1-3H3