[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H19N3O4/c1-14-21(15(2)25(24-14)17-9-4-3-5-10-17)23-20(26)13-28-22(27)19-12-16-8-6-7-11-18(16)29-19/h3-12H,13H2,1-2H3,(H,23,26)