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

Systemtic Name: (E)-4-[(2-cyanophenyl)methoxy]-4-oxidanyl-2-oxidanylidene-3-phenyl-but-3-enoic acid Openeye Name: (E)-4-[(2-cyanophenyl)methoxy]-4-hydroxy-2-oxo-3-phenyl-but-3-enoic acid CAS Name: (E)-4-[(2-cyanophenyl)methoxy]-4-hydroxy-2-oxo-3-phenyl-3-butenoic acid IUPAC Name: (E)-4-[(2-cyanophenyl)methoxy]-4-hydroxy-2-oxo-3-phenylbut-3-enoic acid Traditional Name: (E)-4-(2-cyanobenzyl)oxy-4-hydroxy-2-keto-3-phenyl-but-3-enoic acid Formula: C18H13NO5 MolecularWeight: 323.29952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(O)OCC2=CC=CC=C2C#N)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/O)\OCC2=CC=CC=C2C#N)/C(=O)C(=O)O

InChI

InChI=1S/C18H13NO5/c19-10-13-8-4-5-9-14(13)11-24-18(23)15(16(20)17(21)22)12-6-2-1-3-7-12/h1-9,23H,11H2,(H,21,22)/b18-15+