(2S,4R)-1-(4-methyl-3-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-1-(4-methyl-3-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-4-hydroxy-1-(4-methyl-3-nitro-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-hydroxy-1-(4-methyl-3-nitrobenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(4-methyl-3-nitro-benzoyl)pyrrolidine-2-carboxylate Formula: C13H13N2O6- MolecularWeight: 293.25212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC(CC2C(=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-7-2-3-8(4-10(7)15(20)21)12(17)14-6-9(16)5-11(14)13(18)19/h2-4,9,11,16H,5-6H2,1H3,(H,18,19)/p-1/t9-,11+/m1/s1