(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19ClN2O8S MolecularWeight: 482.89146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)Cl

InChI

InChI=1S/C20H19ClN2O8S/c21-17-4-3-13(9-18(17)32(27,28)22-5-1-2-6-22)20(24)30-11-15-8-16(23(25)26)7-14-10-29-12-31-19(14)15/h3-4,7-9H,1-2,5-6,10-12H2