(2-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-nitrobenzyl) ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-18(26-13-15-5-1-2-6-17(15)20(22)23)14-7-9-16(10-8-14)27(24,25)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2