RETRONECINE 7,9-BIS(P-NITROBENZOATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H19N3O8
Molecular Weight	453.4016
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RETRONECINE 7,9-BIS(P-NITROBENZOATE)

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C4=CC=C(C=C4)[N+]([O-])=O)[C@@H]23

InChI

InChIKey=GTRITHBPPJIKNF-WOJBJXKFSA-N

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

HIDE SMILES / InChI

Molecular Formula	C22H19N3O8
Molecular Weight	453.4016
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:47:46 GMT 2025` Edited by `admin` on `Mon Mar 31 22:47:46 GMT 2025`
Record UNII	0D6N59NG0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RETRONECINE 7,9-BIS(P-NITROBENZOATE)

Common Name

English

1H-PYRROLIZINE-7-METHANOL, 2,3,5,7A-TETRAHYDRO-1-((4-NITROBENZOYL)OXY)-, 4-NITROBENZOATE (ESTER), (1R-TRANS)-

Preferred Name

English

1H-PYRROLIZINE-7-METHANOL, 2,3,5,7A-TETRAHYDRO-1-((4-NITROBENZOYL)OXY)-, 7-(4-NITROBENZOATE), (1R,7AR)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70966386

Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025

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PUBCHEM

21124123

Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025

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FDA UNII

0D6N59NG0N

Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025

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CAS

52031-08-0

Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025

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