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Chemistry, part 2

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > acetic acid [4-[[(3as,4r,9as,9br)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > acetic acid [4-[[(3as,4r,9as,9br)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > acetic acid [4-[[(3as,4r,9as,9br)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester

Preferred term

acetic acid [4-[[(3as,4r,9as,9br)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C28H21N3O5

inchi

  • InChI=1S/C28H21N3O5/c1-16(32)36-21-12-9-18(10-13-21)26(33)25-24-23(22-7-4-14-29-31(22)25)27(34)30(28(24)35)20-11-8-17-5-2-3-6-19(17)15-20/h2-15,22-25H,1H3/t22-,23-,24-,25+/m0/s1

inchikey

  • DZIALMJGWGUREU-OJJQZRKESA-N

mass

  • 479.484

monoisotopicmass

  • 479.14812

smiles

  • CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108971

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