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Concept information

Preferred term

(2S) 3 (1H indol 3 yl) 2 isocyanopropanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • -1

formula

  • C12H9N2O2

has_functional_parent

inchi

  • InChI=1S/C12H10N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,(H,15,16)/p-1/t11-/m0/s1

inchikey

  • UBSZGFBFCQBSCZ-NSHDSACASA-M

mass

  • 213.213

monoisotopicmass

  • 213.06695

smiles

  • C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[O-])[N+]#[C-]

subset

  • 2_STAR

synonym EXACT

  • (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140652

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