[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: 4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18N4O8S MolecularWeight: 438.41182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O)/N

InChI

InChI=1S/C17H18N4O8S/c1-10(19)12(7-18)15(23)9-29-17(24)14-6-11(22)8-20(14)30(27,28)16-5-3-2-4-13(16)21(25)26/h2-5,11,14,22H,6,8-9,19H2,1H3/b12-10+