(2S)-2-[[5-(2,2-dicyanoethenyl)-2-oxidanyl-phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[5-(2,2-dicyanoethenyl)-2-oxidanyl-phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[5-(2,2-dicyanovinyl)-2-hydroxy-benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[5-(2,2-dicyanoethenyl)-2-hydroxyphenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[5-(2,2-dicyanoethenyl)-2-hydroxybenzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[5-(2,2-dicyanovinyl)-2-hydroxy-benzoyl]amino]-3-methyl-butyric acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)C=C(C#N)C#N)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=C(C=CC(=C1)C=C(C#N)C#N)O

InChI

InChI=1S/C16H15N3O4/c1-9(2)14(16(22)23)19-15(21)12-6-10(3-4-13(12)20)5-11(7-17)8-18/h3-6,9,14,20H,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1