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2-[[(4E)-4-benzal-5-keto-2-phenyl-2-imidazolin-1-yl]methylcarbamoylamino]benzoic acid
SpectraBase Compound ID JWNsTTUitrE
InChI InChI=1S/C25H20N4O4/c30-23-21(15-17-9-3-1-4-10-17)27-22(18-11-5-2-6-12-18)29(23)16-26-25(33)28-20-14-8-7-13-19(20)24(31)32/h1-15H,16H2,(H,31,32)(H2,26,28,33)/b21-15+
InChIKey NVFBKBWUILFDIZ-RCCKNPSSSA-N
Mol Weight 440.46 g/mol
Molecular Formula C25H20N4O4
Exact Mass 440.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46RNvhCfMbE
Name 2-[[(4E)-4-benzal-5-keto-2-phenyl-2-imidazolin-1-yl]methylcarbamoylamino]benzoic acid
Alternate Name(s) 2-[[(4E)-4-benzylidene-5-oxo-2-phenyl-imidazol-1-yl]methylcarbamoylamino]benzoic acid 2-[[(4E)-5-oxidanylidene-2-phenyl-4-(phenylmethylidene)imidazol-1-yl]methylcarbamoylamino]benzoic acid 2-[[oxo-[[(4E)-5-oxo-2-phenyl-4-(phenylmethylene)-1-imidazolyl]methylamino]methyl]amino]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N4O4
InChI InChI=1S/C25H20N4O4/c30-23-21(15-17-9-3-1-4-10-17)27-22(18-11-5-2-6-12-18)29(23)16-26-25(33)28-20-14-8-7-13-19(20)24(31)32/h1-15H,16H2,(H,31,32)(H2,26,28,33)/b21-15+
InChIKey NVFBKBWUILFDIZ-RCCKNPSSSA-N
Molecular Weight 440.459 g/mol
SMILES N(CN1C(=N\C(C1=O)=C/c1ccccc1)c1ccccc1)C(Nc1c(C(=O)O)cccc1)=O
SPLASH splash10-056r-3930000000-4b8cf59f7b86bdce9126
Source of Spectrum Y1-37-562-9
Wiley ID 1527351