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Details

Stereochemistry ACHIRAL
Molecular Formula C16H15BrN6O6
Molecular Weight 467.231
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[2-[2-(2-Bromo-4,6-dinitrophenyl)diazenyl]-4-methoxy-5-(methylamino)phenyl]acetamide

SMILES

CNC1=C(OC)C=C(\N=N\C2=C(C=C(C=C2Br)[N+]([O-])=O)[N+]([O-])=O)C(NC(C)=O)=C1

InChI

InChIKey=QBILVGKVVDFNJB-QZQOTICOSA-N
InChI=1S/C16H15BrN6O6/c1-8(24)19-11-6-13(18-2)15(29-3)7-12(11)20-21-16-10(17)4-9(22(25)26)5-14(16)23(27)28/h4-7,18H,1-3H3,(H,19,24)/b21-20+

HIDE SMILES / InChI

Molecular Formula C16H15BrN6O6
Molecular Weight 467.231
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
ZES6G5Q35U
Record Status Validated (UNII)
Record Version