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

Systemtic Name: methyl 2-[5-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]-2-(2-fluoranyl-4-nitro-phenyl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H21FN2O5 MolecularWeight: 424.421643

Click to see the large picture

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)OC)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)OC)C

InChI

InChI=1S/C23H21FN2O5/c1-13-5-7-16(14(2)11-13)22(27)20-10-9-19(25(20)3)21(23(28)31-4)17-8-6-15(26(29)30)12-18(17)24/h5-12,21H,1-4H3