(Q82231071)

English

AN-329/41028171

chemical compound

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Statements

type of chemical entity

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chemical compound

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267.100776656 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₃N₃O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Cc1cc(C)n(N/C=C2\C=CC=CC2=O)c(=O)c1C#N

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

Cc1cc(C)n(N/C=C2\C=CC=CC2=O)c(=O)c1C#N

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Identifiers

InChI=1S/C15H13N3O2/c1-10-7-11(2)18(15(20)13(10)8-16)17-9-12-5-3-4-6-14(12)19/h3-7,9,17H,1-2H3/b12-9+

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JTHKHGVRDJHCCV-FMIVXFBMSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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Sitelinks

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