[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H13BrFNO3 MolecularWeight: 366.181723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H13BrFNO3/c17-13-3-1-2-12(8-13)16(21)22-10-15(20)19-9-11-4-6-14(18)7-5-11/h1-8H,9-10H2,(H,19,20)