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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N5O3
Molecular Weight 223.1888
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROGUANIL FREE BASE

SMILES

NC(=N)NC(=O)NC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=WEHHYSRGQSXGGN-UHFFFAOYSA-N
InChI=1S/C8H9N5O3/c9-7(10)12-8(14)11-5-1-3-6(4-2-5)13(15)16/h1-4H,(H5,9,10,11,12,14)

HIDE SMILES / InChI

Molecular Formula C8H9N5O3
Molecular Weight 223.1888
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9D11IND8AO
Record Status Validated (UNII)
Record Version