[2-(2-dimethylaminoethyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-(2-dimethylaminoethyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-(2-dimethylaminoethyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-(2-dimethylaminoethyl)-4-nitrophenyl]methyl ester IUPAC Name: [2-(2-dimethylaminoethyl)-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-(2-dimethylaminoethyl)-4-nitro-benzyl] ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCC(C2)S

Isomeric SMILES

CN(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCC(C2)S

InChI

InChI=1S/C16H23N3O4S/c1-17(2)7-5-12-9-14(19(21)22)4-3-13(12)11-23-16(20)18-8-6-15(24)10-18/h3-4,9,15,24H,5-8,10-11H2,1-2H3