2-Amino-4-(3,4,5-Trihydroxyphenyl)Buta-1,3-Diene-1,1,3-Tricarbonitrile
[CAS# 122520-90-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Tyrosine derivatives
• Name: 2-Amino-4-(3,4,5-Trihydroxyphenyl)Buta-1,3-Diene-1,1,3-Tricarbonitrile
• Synonyms: (3Z)-2-Amino-4-(3,4,5-Trihydroxyphenyl)Buta-1,3-Diene-1,1,3-Tricarbonitrile; Benzylidenemalononitrile (Bmn) Deriv. 51; Biomolki2_000025
• Molecular Formula: C₁₃H₈N₄O₃
• Molecular Weight: 268.23
• CAS Registry Number: 122520-90-5
• SMILES: C1=C(\C=C(\C(=C(C#N)C#N)N)C#N)C=C(O)C(=C1O)O
• InChI: 1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,18-20H,17H2/b8-1+
• InChIKey: JKNOYWVMHPMBEL-UNXLUWIOSA-N