(3-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-nitrophenyl) ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c20-17(25-15-5-3-4-14(12-15)19(21)22)13-6-8-16(9-7-13)26(23,24)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2