tert-butyl (2S)-4-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-benzyl-5-hydroxy-4-(4-nitrophenyl)-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-5-hydroxy-4-(4-nitrophenyl)-3-oxo-2-(phenylmethyl)-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-benzyl-5-hydroxy-4-(4-nitrophenyl)-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-benzyl-5-hydroxy-3-keto-4-(4-nitrophenyl)-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=O)C(=C1O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C(=O)C(=C1O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-22(2,3)30-21(27)23-17(13-14-7-5-4-6-8-14)19(25)18(20(23)26)15-9-11-16(12-10-15)24(28)29/h4-12,17,26H,13H2,1-3H3/t17-/m0/s1