[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluoroanilino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2,6-difluoroanilino)-2-keto-ethyl] ester Formula: C13H9BrF2N2O3 MolecularWeight: 359.122966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)NC(=O)COC(=O)C2=CC(=CN2)Br)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)NC(=O)COC(=O)C2=CC(=CN2)Br)F

InChI

InChI=1S/C13H9BrF2N2O3/c14-7-4-10(17-5-7)13(20)21-6-11(19)18-12-8(15)2-1-3-9(12)16/h1-5,17H,6H2,(H,18,19)