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

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4/c1-14-17-10-6-7-11-20(17)28-21(14)19(25)13-27-22(26)18-12-23-24(15(18)2)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3