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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > methyl 3-(5-acetyl-4-(2-methoxy-2-oxoethyl)-1-methyl-1h-pyrrol-3-yl)propanoate

Preferred term

methyl 3-(5-acetyl-4-(2-methoxy-2-oxoethyl)-1-methyl-1h-pyrrol-3-yl)propanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C14H19NO5

inchi

  • InChI=1S/C14H19NO5/c1-9(16)14-11(7-13(18)20-4)10(8-15(14)2)5-6-12(17)19-3/h8H,5-7H2,1-4H3

inchikey

  • VDBMTIQBJCRDPT-UHFFFAOYSA-N

mass

  • 281.308

monoisotopicmass

  • 281.12632

smiles

  • O=C(OC)CC1=C(N(C)C=C1CCC(=O)OC)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • methyl 3-[5-acetyl-4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]propanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214537

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