[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H10BrFN2O3 MolecularWeight: 377.164603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrFN2O3/c17-14-5-4-11(18)7-13(14)16(22)23-9-15(21)20-12-3-1-2-10(6-12)8-19/h1-7H,9H2,(H,20,21)