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2-cyano-3-keto-3-[4-[(4-nitrobenzoyl)amino]phenyl]propionic acid ethyl ester
SpectraBase Compound ID 81LxZwtcNFI
InChI InChI=1S/C19H15N3O6/c1-2-28-19(25)16(11-20)17(23)12-3-7-14(8-4-12)21-18(24)13-5-9-15(10-6-13)22(26)27/h3-10,16H,2H2,1H3,(H,21,24)
InChIKey XFEBWASWHYOUFZ-UHFFFAOYSA-N
Mol Weight 381.34 g/mol
Molecular Formula C19H15N3O6
Exact Mass 381.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FHKPIm2GYZ
Name 2-cyano-3-keto-3-[4-[(4-nitrobenzoyl)amino]phenyl]propionic acid ethyl ester
Alternate Name(s) 2-cyano-3-[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-3-oxopropanoic acid ethyl ester Ethyl 2-cyano-3-[4-[(4-nitrophenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoate Ethyl 2-cyano-3-[4-[(4-nitrobenzoyl)amino]phenyl]-3-oxopropanoate
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Formula C19H15N3O6
InChI InChI=1S/C19H15N3O6/c1-2-28-19(25)16(11-20)17(23)12-3-7-14(8-4-12)21-18(24)13-5-9-15(10-6-13)22(26)27/h3-10,16H,2H2,1H3,(H,21,24)
InChIKey XFEBWASWHYOUFZ-UHFFFAOYSA-N
Molecular Weight 381.344 g/mol
SMILES N(C(c1ccc(N(=O)=O)cc1)=O)c1ccc(C(C(C(=O)OCC)C#N)=O)cc1
SPLASH splash10-0udi-5923000000-730e000e21b621819af8
Wiley ID 1452413