tert-butyl (2S)-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-5-keto-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C=CC1=O)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C=CC1=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N2O6/c1-16(2,3)24-15(21)17-12(8-9-13(17)19)14(20)10-4-6-11(7-5-10)18(22)23/h4-9,12,14,20H,1-3H3/t12-,14-/m0/s1