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

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C18H14BrN3O3 MolecularWeight: 400.22606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O3/c1-12-17(21-22(20-12)15-8-3-2-4-9-15)18(24)25-11-16(23)13-6-5-7-14(19)10-13/h2-10H,11H2,1H3