tert-butyl 2-(2-nitro-1-oxidanyl-ethyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-nitro-1-oxidanyl-ethyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(1-hydroxy-2-nitro-ethyl)pyrrole-1-carboxylate CAS Name: 2-(1-hydroxy-2-nitroethyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-hydroxy-2-nitroethyl)pyrrole-1-carboxylate Traditional Name: 2-(1-hydroxy-2-nitro-ethyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C11H16N2O5 MolecularWeight: 256.25514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C(C[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C(C[N+](=O)[O-])O

InChI

InChI=1S/C11H16N2O5/c1-11(2,3)18-10(15)12-6-4-5-8(12)9(14)7-13(16)17/h4-6,9,14H,7H2,1-3H3