methyl 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: methyl 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C2=CC3=CC=CC=C3O2)CCC#N

Isomeric SMILES

COC(=O)C1=CN(N=C1C2=CC3=CC=CC=C3O2)CCC#N

InChI

InChI=1S/C16H13N3O3/c1-21-16(20)12-10-19(8-4-7-17)18-15(12)14-9-11-5-2-3-6-13(11)22-14/h2-3,5-6,9-10H,4,8H2,1H3