(E)-3-(3-cyanopropoxy)-4-(3-hydroxyphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6/c15-6-1-2-7-21-13(12(18)14(19)20)11(17)9-4-3-5-10(16)8-9/h3-5,8,16-17H,1-2,7H2,(H,19,20)/b13-11+