[2-(2-dimethylaminoethyloxymethyl)-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: [2-(2-dimethylaminoethyloxymethyl)-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: [2-(2-dimethylaminoethyloxymethyl)-4-nitro-phenyl]methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid [2-(2-dimethylaminoethyloxymethyl)-4-nitrophenyl]methyl ester IUPAC Name: [2-(2-dimethylaminoethyloxymethyl)-4-nitrophenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid [2-(2-dimethylaminoethyloxymethyl)-4-nitro-benzyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

Isomeric SMILES

CN(C)CCOCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

InChI

InChI=1S/C17H23N3O5S/c1-18(2)8-9-24-11-14-10-15(20(22)23)6-5-13(14)12-25-17(21)19-7-3-4-16(19)26/h5-6,10H,3-4,7-9,11-12H2,1-2H3