[2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H17FN2O6 MolecularWeight: 400.357183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C)F

InChI

InChI=1S/C20H17FN2O6/c1-11-4-5-14(9-16(11)21)22-12(2)8-15(13(22)3)17(24)10-28-20(25)18-6-7-19(29-18)23(26)27/h4-9H,10H2,1-3H3