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(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]propyl]-3-(3,4-dihydroxyphenyl)-2-propenamide
SpectraBase Compound ID KZgHmmoIUpD
InChI InChI=1S/C23H20N4O6/c24-12-16(8-14-2-4-18(28)20(30)10-14)22(32)26-6-1-7-27-23(33)17(13-25)9-15-3-5-19(29)21(31)11-15/h2-5,8-11,28-31H,1,6-7H2,(H,26,32)(H,27,33)/b16-8+,17-9+
InChIKey ZHOKHSGWBNPFQU-GONBZBRSSA-N
Mol Weight 448.44 g/mol
Molecular Formula C23H20N4O6
Exact Mass 448.138284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaghqTCHQcz
Name (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]propyl]-3-(3,4-dihydroxyphenyl)-2-propenamide
Alternate Name(s) (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)acryloyl]amino]propyl]-3-(3,4-dihydroxyphenyl)acrylamide (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide (E)-3-[3,4-bis(oxidanyl)phenyl]-N-[3-[[(E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoyl]amino]propyl]-2-cyano-prop-2-enamide
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Formula C23H20N4O6
InChI InChI=1S/C23H20N4O6/c24-12-16(8-14-2-4-18(28)20(30)10-14)22(32)26-6-1-7-27-23(33)17(13-25)9-15-3-5-19(29)21(31)11-15/h2-5,8-11,28-31H,1,6-7H2,(H,26,32)(H,27,33)/b16-8+,17-9+
InChIKey ZHOKHSGWBNPFQU-GONBZBRSSA-N
Molecular Weight 448.435 g/mol
SMILES N(CCCNC(\C(=C\c1cc(c(cc1)O)O)C#N)=O)C(\C(=C\c1cc(c(cc1)O)O)C#N)=O
SPLASH splash10-03di-0910000000-66a145626917881c53c3
Source of Spectrum E1-39-4909-2
Wiley ID 1599094