2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanenitrile

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanenitrile Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetonitrile CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetonitrile IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetonitrile Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetonitrile Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c13-5-8-20-12-4-3-10(9-11(12)15(16)17)21(18,19)14-6-1-2-7-14/h3-4,9H,1-2,6-8H2