methyl 3-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]benzoate Openeye Name: methyl 3-[(5-bromo-2-fluoro-phenyl)methylcarbamoylamino]benzoate CAS Name: 3-[[[(5-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-fluorophenyl)methylcarbamoylamino]benzoate Traditional Name: 3-[(5-bromo-2-fluoro-benzyl)carbamoylamino]benzoic acid methyl ester Formula: C16H14BrFN2O3 MolecularWeight: 381.196363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H14BrFN2O3/c1-23-15(21)10-3-2-4-13(8-10)20-16(22)19-9-11-7-12(17)5-6-14(11)18/h2-8H,9H2,1H3,(H2,19,20,22)