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Details

Stereochemistry ACHIRAL
Molecular Formula C21H19BrN8O6
Molecular Weight 559.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(5-(BIS(2-CYANOETHYL)AMINO)-2-(2-(2-BROMO-4,6-DINITROPHENYL)DIAZENYL)-4-METHOXYPHENYL)ACETAMIDE

SMILES

COC1=C(C=C(NC(C)=O)C(=C1)\N=N\C2=C(C=C(C=C2Br)[N+]([O-])=O)[N+]([O-])=O)N(CCC#N)CCC#N

InChI

InChIKey=IQWWXXQLHSFCJP-CYYJNZCTSA-N
InChI=1S/C21H19BrN8O6/c1-13(31)25-16-11-18(28(7-3-5-23)8-4-6-24)20(36-2)12-17(16)26-27-21-15(22)9-14(29(32)33)10-19(21)30(34)35/h9-12H,3-4,7-8H2,1-2H3,(H,25,31)/b27-26+

HIDE SMILES / InChI

Molecular Formula C21H19BrN8O6
Molecular Weight 559.33
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
X995QN8GH2
Record Status Validated (UNII)
Record Version