U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C15H18N2O6
Molecular Weight 322.3132
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BINAPACRYL

SMILES

CCC(C)C1=C(OC(=O)C=C(C)C)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=ZRDUSMYWDRPZRM-UHFFFAOYSA-N
InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H18N2O6
Molecular Weight 322.3132
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
4X685BB13A
Record Status Validated (UNII)
Record Version