1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-[(4-nitrobenzoyl)oxy]-, 7-(4-nitrobenzoate), (1R,7aR)-

CAS Registry Number®

52031-08-0

CAS Name

1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-[(4-nitrobenzoyl)oxy]-, 7-(4-nitrobenzoate), (1R,7aR)-

Molecular Formula

C22H19N3O8

Molecular Mass

453.40

Cite this Page

1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-[(4-nitrobenzoyl)oxy]-, 7-(4-nitrobenzoate), (1R,7aR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52031-08-0 (retrieved 2024-11-22) (CAS RN: 52031-08-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H19N3O8/c26-21(14-1-5-17(6-2-14)24(28)29)32-13-16-9-11-23-12-10-19(20(16)23)33-22(27)15-3-7-18(8-4-15)25(30)31/h1-9,19-20H,10-13H2/t19-,20-/m1/s1

InChIKey

InChIKey=GTRITHBPPJIKNF-WOJBJXKFSA-N

SMILES

O(C(=O)C1=CC=C(N(=O)=O)C=C1)[C@H]2[C@@]3(N(CC2)CC=C3COC(=O)C4=CC=C(N(=O)=O)C=C4)[H]

Canonical SMILES

O=C(OCC1=CCN2CCC(OC(=O)C3=CC=C(C=C3)N(=O)=O)C12)C4=CC=C(C=C4)N(=O)=O

Other Names for this Substance

  • 1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-[(4-nitrobenzoyl)oxy]-, 7-(4-nitrobenzoate), (1R,7aR)-
  • 1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-[(4-nitrobenzoyl)oxy]-, 4-nitrobenzoate (ester), (1R-trans)-
  • Retronecine 7,9-bis(p-nitrobenzoate)