(3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxylate Formula: C11H9N2O5- MolecularWeight: 249.19956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H10N2O5/c14-10-5-7(11(15)16)6-12(10)8-1-3-9(4-2-8)13(17)18/h1-4,7H,5-6H2,(H,15,16)/p-1/t7-/m0/s1