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Concept information

... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > benzophenones > 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > benzophenones > 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester

Preferred term

2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C22H23ClN2O6

inchi

  • InChI=1S/C22H23ClN2O6/c1-13(2)24(14(3)4)20(26)12-31-22(28)17-8-6-5-7-16(17)21(27)15-9-10-18(23)19(11-15)25(29)30/h5-11,13-14H,12H2,1-4H3

inchikey

  • SVAKXJZYTKDMNY-UHFFFAOYSA-N

mass

  • 446.882

monoisotopicmass

  • 446.12446

smiles

  • CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117147

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