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

Stereochemistry ACHIRAL
Molecular Formula C10H15N3O4
Molecular Weight 241.2438
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HC ORANGE NO. 2

SMILES

NCCNC1=CC=C(OCCO)C=C1[N+]([O-])=O

InChI

InChIKey=WXGKXLXGYOYZMX-UHFFFAOYSA-N
InChI=1S/C10H15N3O4/c11-3-4-12-9-2-1-8(17-6-5-14)7-10(9)13(15)16/h1-2,7,12,14H,3-6,11H2

HIDE SMILES / InChI

Molecular Formula C10H15N3O4
Molecular Weight 241.2438
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
86WS98470U
Record Status Validated (UNII)
Record Version