methyl 5-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[1-(3-bromophenyl)triazole-4-carbonyl]amino]-2-fluoro-benzoate CAS Name: 5-[[[1-(3-bromophenyl)-4-triazolyl]-oxomethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[1-(3-bromophenyl)triazole-4-carbonyl]amino]-2-fluorobenzoate Traditional Name: 5-[[1-(3-bromophenyl)triazole-4-carbonyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C17H12BrFN4O3 MolecularWeight: 419.204583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)F

InChI

InChI=1S/C17H12BrFN4O3/c1-26-17(25)13-8-11(5-6-14(13)19)20-16(24)15-9-23(22-21-15)12-4-2-3-10(18)7-12/h2-9H,1H3,(H,20,24)