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Benzenepropanoic acid, 2-chloro-5-nitro-.beta.-[[(phenylamino)carbonyl]amino]-
SpectraBase Compound ID GR4HbMcggy7
InChI InChI=1S/C16H14ClN3O5/c17-13-7-6-11(20(24)25)8-12(13)14(9-15(21)22)19-16(23)18-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22)(H2,18,19,23)
InChIKey AMBZEKLFQDJAIM-UHFFFAOYSA-N
Mol Weight 363.76 g/mol
Molecular Formula C16H14ClN3O5
Exact Mass 363.062198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qXRVpa185N
Name Benzenepropanoic acid, 2-chloro-5-nitro-.beta.-[[(phenylamino)carbonyl]amino]-
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Formula C16H14ClN3O5
InChI InChI=1S/C16H14ClN3O5/c17-13-7-6-11(20(24)25)8-12(13)14(9-15(21)22)19-16(23)18-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22)(H2,18,19,23)
InChIKey AMBZEKLFQDJAIM-UHFFFAOYSA-N
Molecular Weight 363.757 g/mol
SMILES N(C(NC(CC(=O)O)c1cc(N(=O)=O)ccc1Cl)=O)c1ccccc1
SPLASH splash10-00ko-9300000000-33dde376ba57e25a0cc8
Source of Spectrum IY-1-4513-2
Synonyms 3-[[anilino(oxo)methyl]amino]-3-(2-chloro-5-nitrophenyl)propanoic acid 3-(2-Chloro-5-nitrophenyl)-3-(phenylcarbamoylamino)propanoic acid 3-(2-Chloro-5-nitro-phenyl)-3-(phenylcarbamoylamino)propanoic acid 3-(2-Chloranyl-5-nitro-phenyl)-3-(phenylcarbamoylamino)propanoic acid
Wiley ID 1653115