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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-10(9-14)21-13-5-4-11(8-12(13)16(17)18)22(19,20)15-6-2-3-7-15/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1