(4-nitrophenyl)methyl 4-oxidanyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-oxidanyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-(1-pyrazolylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN2C=CC=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CN2C=CC=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N4O5/c21-15-8-14(9-18-7-1-6-17-18)19(10-15)16(22)25-11-12-2-4-13(5-3-12)20(23)24/h1-7,14-15,21H,8-11H2