[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2R,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (2R,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H19N5O8S MolecularWeight: 513.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

C1[C@H](CN([C@H]1C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C22H19N5O8S/c23-10-14(21-24-15-5-1-2-6-16(15)25-21)19(29)12-35-22(30)18-9-13(28)11-26(18)36(33,34)20-8-4-3-7-17(20)27(31)32/h1-8,13,18,24-25,28H,9,11-12H2/t13-,18-/m1/s1