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

Systemtic Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzonitrile CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)benzonitrile Traditional Name: 3-(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(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c18-12-13-4-3-5-14(10-13)25-17-7-6-15(11-16(17)20(21)22)26(23,24)19-8-1-2-9-19/h3-7,10-11H,1-2,8-9H2