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

Systemtic Name: (E)-3-[2-(3-cyanopropoxy)phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-3-[2-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-3-[2-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-3-[2-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-3-[2-(3-cyanopropoxy)phenyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5/c15-7-3-4-8-20-12-6-2-1-5-10(12)11(9-16)13(17)14(18)19/h1-2,5-6,9,16H,3-4,8H2,(H,18,19)/b11-9+