[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H18ClFN2O4 MolecularWeight: 428.840723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C22H18ClFN2O4/c1-13-10-17(14(2)26(13)25-21(28)15-6-4-3-5-7-15)20(27)12-30-22(29)18-11-16(23)8-9-19(18)24/h3-11H,12H2,1-2H3,(H,25,28)