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

Systemtic Name: [2-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C19H14ClFN2O5S MolecularWeight: 436.841263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClFN2O5S/c1-10-7-13(11(2)22(10)12-3-4-15(21)14(20)8-12)16(24)9-28-19(25)17-5-6-18(29-17)23(26)27/h3-8H,9H2,1-2H3