(4-nitrophenyl)methyl 2-carbamothioylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-carbamothioylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamothioylpyrrolidine-1-carboxylate CAS Name: 2-carbamothioyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamothioylpyrrolidine-1-carboxylate Traditional Name: 2-thiocarbamoylpyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C13H15N3O4S/c14-12(21)11-2-1-7-15(11)13(17)20-8-9-3-5-10(6-4-9)16(18)19/h3-6,11H,1-2,7-8H2,(H2,14,21)