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

Systemtic Name: (E)-3-[2-(3-cyanopropoxy)-4-methyl-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-3-[2-(3-cyanopropoxy)-4-methyl-phenyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-3-[2-(3-cyanopropoxy)-4-methylphenyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-3-[2-(3-cyanopropoxy)-4-methylphenyl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-3-[2-(3-cyanopropoxy)-4-methyl-phenyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=CO)C(=O)C(=O)O)OCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=C\O)/C(=O)C(=O)O)OCCCC#N

InChI

InChI=1S/C15H15NO5/c1-10-4-5-11(12(9-17)14(18)15(19)20)13(8-10)21-7-3-2-6-16/h4-5,8-9,17H,2-3,7H2,1H3,(H,19,20)/b12-9+