dimethyl 3-[4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=COC3=C2C(=O)CCC3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=COC3=C2C(=O)CCC3

InChI

InChI=1S/C19H21N3O7/c1-27-16(24)6-12(7-17(25)28-2)22-9-11(8-20-22)21-19(26)13-10-29-15-5-3-4-14(23)18(13)15/h8-10,12H,3-7H2,1-2H3,(H,21,26)