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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11N3O6
Molecular Weight 341.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DS-677

SMILES

CN1C=C(C(O)=O)C(=O)C2=C1N=C(\C=C\C3=CC=C(O3)[N+]([O-])=O)C=C2

InChI

InChIKey=GHYALFXBRYPUHB-DUXPYHPUSA-N
InChI=1S/C16H11N3O6/c1-18-8-12(16(21)22)14(20)11-6-3-9(17-15(11)18)2-4-10-5-7-13(25-10)19(23)24/h2-8H,1H3,(H,21,22)/b4-2+

HIDE SMILES / InChI

Molecular Formula C16H11N3O6
Molecular Weight 341.275
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
QJW99NH53Z
Record Status Validated (UNII)
Record Version