3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanenitrile

Systemtic Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanenitrile Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanenitrile CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanenitrile IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanenitrile Traditional Name: 3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionitrile Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c14-6-3-9-21-13-5-4-11(10-12(13)16(17)18)22(19,20)15-7-1-2-8-15/h4-5,10H,1-3,7-9H2