(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-pyrazol-1-ylbenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-pyrazol-1-ylbenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H17N3O4/c20-15(18-8-10-22-11-9-18)12-23-16(21)13-2-4-14(5-3-13)19-7-1-6-17-19/h1-7H,8-12H2