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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzonitrile CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)benzonitrile Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)benzonitrile Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c18-12-13-5-1-2-6-16(13)25-17-8-7-14(11-15(17)20(21)22)26(23,24)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2