2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzonitrile CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]benzonitrile IUPAC Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]benzonitrile Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]benzonitrile Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c19-12-14-5-1-2-6-15(14)13-26-18-8-7-16(11-17(18)21(22)23)27(24,25)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,13H2