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(Q72471045)
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English
3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol
chemical compound
3',3'-Dimethyl-1'-(beta-hydroxyethyl)-6-nitrospiro[2H-1-benzopyran-2,2'-indoline]
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical formula
C₂₀H₂₀N₂O₄
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canonical SMILES
CC1(C)c2ccccc2N(CCO)C12C=Cc1cc([N+](=O)[O-])ccc1O2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H20N2O4/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
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InChIKey
FGJPKPQMQFZPJY-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
16111-07-2
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PubChem CID
3104858
1 reference
matched by identifier from
InChIKey
InChIKey
FGJPKPQMQFZPJY-UHFFFAOYSA-N
DSSTox substance ID
DTXSID80970075
1 reference
matched by identifier from
InChIKey
InChIKey
FGJPKPQMQFZPJY-UHFFFAOYSA-N
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