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Details

Stereochemistry ACHIRAL
Molecular Formula C18H11NO4
Molecular Weight 305.2842
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITRO-3-ACETOXYPYRENE

SMILES

CC(=O)OC1=CC(=C2C=CC3=CC=CC4=CC=C1C2=C34)[N+]([O-])=O

InChI

InChIKey=MLXPFKTZYAVEFB-UHFFFAOYSA-N
InChI=1S/C18H11NO4/c1-10(20)23-16-9-15(19(21)22)13-7-5-11-3-2-4-12-6-8-14(16)18(13)17(11)12/h2-9H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-NITRO-3-ACETOXYPYRENE
Systematic Name English
1-PYRENOL, 3-NITRO-, 1-ACETATE
Systematic Name English
(3-NITROPYREN-1-YL)ACETATE
Systematic Name English
Code System Code Type Description
PUBCHEM
150509
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID00243990
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
CAS
99217-04-6
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
FDA UNII
HST3LF6J5Z
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
NIH
NCATS
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