diethyl 2-[[[2-(2-oxidanyl-3-phenoxy-propyl)pyrazol-3-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[2-(2-oxidanyl-3-phenoxy-propyl)pyrazol-3-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[2-(2-hydroxy-3-phenoxy-propyl)pyrazol-3-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(2-hydroxy-3-phenoxypropyl)-3-pyrazolyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[2-(2-hydroxy-3-phenoxypropyl)pyrazol-3-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[2-(2-hydroxy-3-phenoxy-propyl)pyrazol-3-yl]amino]methylene]malonic acid diethyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=NN1CC(COC2=CC=CC=C2)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC=NN1CC(COC2=CC=CC=C2)O)C(=O)OCC

InChI

InChI=1S/C20H25N3O6/c1-3-27-19(25)17(20(26)28-4-2)12-21-18-10-11-22-23(18)13-15(24)14-29-16-8-6-5-7-9-16/h5-12,15,21,24H,3-4,13-14H2,1-2H3