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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H11N3O3
Molecular Weight 185.1805
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECNIDAZOLE, (S)-

SMILES

C[C@H](O)CN1C(C)=NC=C1[N+]([O-])=O

InChI

InChIKey=KPQZUUQMTUIKBP-YFKPBYRVSA-N
InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H11N3O3
Molecular Weight 185.1805
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BB0E6EW7OB
Record Status Validated (UNII)
Record Version