[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C18H15BrFNO4 MolecularWeight: 408.218403

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H15BrFNO4/c19-11-5-6-14(20)13(9-11)18(23)25-10-17(22)21-15-7-8-24-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,21,22)