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

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=NN(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=NN(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4/c1-13-16-10-6-7-11-18(16)28-20(13)17(25)12-27-21(26)19-14(2)22-24(23-19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3