(phenylmethyl) (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-chloroethyl(nitroso)amino]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)N(CCCl)N=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C[C@H](N(C1)C(=O)N(CCCl)N=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H18ClN3O4/c16-8-10-19(17-22)15(21)18-9-4-7-13(18)14(20)23-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1