[2-(benzamidomethyl)-4,6-bis(bromanyl)phenyl] 4-fluoranylbenzoate

Systemtic Name: [2-(benzamidomethyl)-4,6-bis(bromanyl)phenyl] 4-fluoranylbenzoate Openeye Name: [2-(benzamidomethyl)-4,6-dibromo-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-(benzamidomethyl)-4,6-dibromophenyl] ester IUPAC Name: [2-(benzamidomethyl)-4,6-dibromophenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-(benzamidomethyl)-4,6-dibromo-phenyl] ester Formula: C21H14Br2FNO3 MolecularWeight: 507.147163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2OC(=O)C3=CC=C(C=C3)F)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2OC(=O)C3=CC=C(C=C3)F)Br)Br

InChI

InChI=1S/C21H14Br2FNO3/c22-16-10-15(12-25-20(26)13-4-2-1-3-5-13)19(18(23)11-16)28-21(27)14-6-8-17(24)9-7-14/h1-11H,12H2,(H,25,26)