(4-nitrophenyl)methyl N-[1-(pyrrolidin-1-ylmethylsulfanyl)ethyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-(pyrrolidin-1-ylmethylsulfanyl)ethyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[1-(pyrrolidin-1-ylmethylsulfanyl)ethyl]carbamate CAS Name: N-[1-(1-pyrrolidinylmethylthio)ethyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-(pyrrolidin-1-ylmethylsulfanyl)ethyl]carbamate Traditional Name: N-[1-(pyrrolidinomethylthio)ethyl]carbamic acid (4-nitrobenzyl) ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])SCN2CCCC2

Isomeric SMILES

CC(NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])SCN2CCCC2

InChI

InChI=1S/C15H21N3O4S/c1-12(23-11-17-8-2-3-9-17)16-15(19)22-10-13-4-6-14(7-5-13)18(20)21/h4-7,12H,2-3,8-11H2,1H3,(H,16,19)