(E)-3-[2-(3-cyanopropoxy)-5-oxidanyl-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-3-[2-(3-cyanopropoxy)-5-oxidanyl-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-3-[2-(3-cyanopropoxy)-5-hydroxy-phenyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-3-[2-(3-cyanopropoxy)-5-hydroxyphenyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-3-[2-(3-cyanopropoxy)-5-hydroxyphenyl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-3-[2-(3-cyanopropoxy)-5-hydroxy-phenyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(=CO)C(=O)C(=O)O)OCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1O)/C(=C\O)/C(=O)C(=O)O)OCCCC#N

InChI

InChI=1S/C14H13NO6/c15-5-1-2-6-21-12-4-3-9(17)7-10(12)11(8-16)13(18)14(19)20/h3-4,7-8,16-17H,1-2,6H2,(H,19,20)/b11-8+