O1-[5-(methylsulfanylmethyl)pyrrolidin-3-yl] O4-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-[5-(methylsulfanylmethyl)pyrrolidin-3-yl] O4-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate Openeye Name: O1-[5-(methylsulfanylmethyl)pyrrolidin-3-yl] O4-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-[5-[(methylthio)methyl]-3-pyrrolidinyl] ester O4-[nitro(phenyl)methyl] ester IUPAC Name: 1-O-[5-(methylsulfanylmethyl)pyrrolidin-3-yl] 4-O-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-[5-[(methylthio)methyl]pyrrolidin-3-yl] ester O4-[nitro(phenyl)methyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1CC(CN1)OC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCC1CC(CN1)OC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6S/c1-30-13-17-11-18(12-22-17)28-20(24)15-7-9-16(10-8-15)21(25)29-19(23(26)27)14-5-3-2-4-6-14/h2-10,17-19,22H,11-13H2,1H3