(2-methyl-4-nitro-phenyl)methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: (2-methyl-4-nitro-phenyl)methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: (2-methyl-4-nitro-phenyl)methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid (2-methyl-4-nitrophenyl)methyl ester IUPAC Name: (2-methyl-4-nitrophenyl)methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid (2-methyl-4-nitro-benzyl) ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

InChI

InChI=1S/C13H14N2O4S/c1-9-7-11(15(17)18)5-4-10(9)8-19-13(16)14-6-2-3-12(14)20/h4-5,7H,2-3,6,8H2,1H3