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(Q82045928)
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English
1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxyisoquinoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
384.1321363599999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀N₂O₆
0 references
canonical SMILES
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC
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Identifiers
InChI
InChI=1S/C20H20N2O6/c1-25-17-8-12-5-6-21-15(14(12)10-19(17)27-3)7-13-9-18(26-2)20(28-4)11-16(13)22(23)24/h5-6,8-11H,7H2,1-4H3
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InChIKey
LDDJQOUHXBDHKJ-UHFFFAOYSA-N
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CAS Registry Number
25944-25-6
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PubChem CID
286872
1 reference
matched by identifier from
InChIKey
InChIKey
LDDJQOUHXBDHKJ-UHFFFAOYSA-N
UniChem compound ID
12811116
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30301719
1 reference
matched by identifier from
InChIKey
InChIKey
LDDJQOUHXBDHKJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30252853
0 references
NSC number
146065
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