[nitro(phenyl)methyl] 4-pyrrolidin-3-ylsulfanylcarbonylbenzoate

Systemtic Name: [nitro(phenyl)methyl] 4-pyrrolidin-3-ylsulfanylcarbonylbenzoate Openeye Name: [nitro(phenyl)methyl] 4-pyrrolidin-3-ylsulfanylcarbonylbenzoate CAS Name: 4-[oxo-(3-pyrrolidinylthio)methyl]benzoic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 4-pyrrolidin-3-ylsulfanylcarbonylbenzoate Traditional Name: 4-(pyrrolidin-3-ylthio)carbonylbenzoic acid [nitro(phenyl)methyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCC1SC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c22-18(26-17(21(24)25)13-4-2-1-3-5-13)14-6-8-15(9-7-14)19(23)27-16-10-11-20-12-16/h1-9,16-17,20H,10-12H2