(E)-3-[(E)-2-(butylazaniumylidynemethyl)ethenyl]-5-methyl-2-methylidene-6-oxidanyl-6-oxidanylidene-hex-4-enoate

Systemtic Name: (E)-3-[(E)-2-(butylazaniumylidynemethyl)ethenyl]-5-methyl-2-methylidene-6-oxidanyl-6-oxidanylidene-hex-4-enoate Openeye Name: (E)-3-[(E)-2-(butylnitriliomethyl)vinyl]-6-hydroxy-5-methyl-2-methylene-6-oxo-hex-4-enoate CAS Name: (E)-3-[(E)-2-(butylnitriliomethyl)ethenyl]-6-hydroxy-5-methyl-2-methylene-6-oxo-4-hexenoate IUPAC Name: (E)-3-[(E)-2-(butylazaniumylidynemethyl)ethenyl]-6-hydroxy-5-methyl-2-methylidene-6-oxohex-4-enoate Traditional Name: (E)-3-[(E)-2-(butylnitriliomethyl)vinyl]-6-hydroxy-6-keto-5-methyl-2-methylene-hex-4-enoate Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]#CC=CC(C=C(C)C(=O)O)C(=C)C(=O)[O-]

Isomeric SMILES

CCCC[N+]#C/C=C/C(/C=C(\C)/C(=O)O)C(=C)C(=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-4-5-8-16-9-6-7-13(12(3)15(19)20)10-11(2)14(17)18/h6-7,10,13H,3-5,8H2,1-2H3,(H-,17,18,19,20)/b7-6+,11-10+