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English
3-Nitrostrychnidin-10-one
group of stereoisomers with the chemical formula C₂₁H₂₁N₃O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
379.15320615200005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₁N₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1CC2OCC=C3CN4CCC56c7ccc([N+](=O)[O-])cc7N1C5C2C3CC46
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1C[C@@H]2OCC=C3CN4CCC56c7ccc([N+](=O)[O-])cc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H21N3O4/c25-18-9-16-19-13-8-17-21(4-5-22(17)10-11(13)3-6-28-16)14-2-1-12(24(26)27)7-15(14)23(18)20(19)21/h1-3,7,13,16-17,19-20H,4-6,8-10H2/t13-,16-,17-,19-,20-,21?/m0/s1
0 references
InChIKey
UWEUURKXABXWIT-QMVMYWSFSA-N
0 references
CAS Registry Number
58523-45-8
0 references
PubChem CID
3041793
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68324665
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40974079
0 references
DSSTOX compound identifier
DTXCID601401516
0 references
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