2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)butyronitrile Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6S/c22-12-15(21-23-16-5-1-2-6-17(16)24-21)19(27)13-32-20-8-7-14(11-18(20)26(28)29)33(30,31)25-9-3-4-10-25/h1-2,5-8,11,23-24H,3-4,9-10,13H2