3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propanenitrile

Systemtic Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propanenitrile Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propanenitrile CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]propanenitrile IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propanenitrile Traditional Name: 3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propionitrile Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c14-6-3-7-15-12-5-4-11(10-13(12)17(18)19)22(20,21)16-8-1-2-9-16/h4-5,10,15H,1-3,7-9H2