(4-nitrophenyl)methyl 2-methanethioyl-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-methanethioyl-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-methanethioyl-pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-methanethioyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-methanethioylpyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-thioformyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C=S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1C=S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H14N2O5S/c16-12-5-11(8-21)14(6-12)13(17)20-7-9-1-3-10(4-2-9)15(18)19/h1-4,8,11-12,16H,5-7H2