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2,5-Dimethyl-3-methoxycarbonyl-4-[(4-chlorophenyl)aminocarbonyl]-1-(N-phenylureido)pyrrole
SpectraBase Compound ID 9FaQjr1lYkx
InChI InChI=1S/C22H21ClN4O4/c1-13-18(20(28)25-16-11-9-15(23)10-12-16)19(21(29)31-3)14(2)26(13)27(22(24)30)17-7-5-4-6-8-17/h4-12H,1-3H3,(H2,24,30)(H,25,28)
InChIKey RINPATYXXKHWGX-UHFFFAOYSA-N
Mol Weight 440.89 g/mol
Molecular Formula C22H21ClN4O4
Exact Mass 440.125133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiUuF6YEZtY
Name 2,5-Dimethyl-3-methoxycarbonyl-4-[(4-chlorophenyl)aminocarbonyl]-1-(N-phenylureido)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN4O4
InChI InChI=1S/C22H21ClN4O4/c1-13-18(20(28)25-16-11-9-15(23)10-12-16)19(21(29)31-3)14(2)26(13)27(22(24)30)17-7-5-4-6-8-17/h4-12H,1-3H3,(H2,24,30)(H,25,28)
InChIKey RINPATYXXKHWGX-UHFFFAOYSA-N
Molecular Weight 440.887 g/mol
SMILES N(C(c1c(c([n](N(C(=O)N)c2ccccc2)c1C)C)C(=O)OC)=O)c1ccc(cc1)Cl
SPLASH splash10-03fr-0009000000-56add938b83a4c97544c
Source of Spectrum KC-57-5860-14
Synonyms Methyl 1-[(aminocarbonyl)anilino]-4-[(4-chloroanilino)carbonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Wiley ID 1624975