[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: 4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H20N4O8S MolecularWeight: 488.4705

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C21H20N4O8S/c22-10-11-23(15-6-2-1-3-7-15)20(27)14-33-21(28)18-12-16(26)13-24(18)34(31,32)19-9-5-4-8-17(19)25(29)30/h1-9,16,18,26H,11-14H2