[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H14BrFN4O3 MolecularWeight: 433.231163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3

InChI

InChI=1S/C18H14BrFN4O3/c1-11-17(23-24(22-11)13-5-3-2-4-6-13)18(26)27-10-16(25)21-15-8-7-12(19)9-14(15)20/h2-9H,10H2,1H3,(H,21,25)