AC1L4RPA

[7-(4-nitrobenzoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 4-nitrobenzoate

Also Known As: Retronecine 7,9-bis(p-nitrobenzoate)|7-{[(4-nitrobenzoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 4-nitrobenzoate|[7-(4-nitrobenzoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 4-nitrobenzoate|(1R-trans)-2,3,5,7a-Tetrahydro-1-((4-nitrobenzoyl)oxy)-1H-pyrrolizine-7-methanol 4-nitrobenzoate (ester)|1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-((4-nitrobenzoyl)oxy)-, 4-nitrobenzoate (ester), (1R-trans)-|1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-[(4-nitrobenzoyl)oxy]-, 4-nitrobenzoate (ester), (1R-trans)-

Molecular Formula	C22H19N3O8
Molecular Weight	453.11722 g/mol
LogP	2.8
Topological Polar Surface Area	147.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	453.11722
Monoisotopic Mass	453.11722
Heavy Atoms	33
Complexity	803.0

Chemical Identifiers

CAS Number	5468-85-9
SMILES	C1CN2CC=C(C2C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChIKey	GTRITHBPPJIKNF-UHFFFAOYSA-N