3-[[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)/C#N

InChI

InChI=1S/C20H17NO5/c1-2-25-20(24)17(12-21)10-14-6-8-18(9-7-14)26-13-15-4-3-5-16(11-15)19(22)23/h3-11H,2,13H2,1H3,(H,22,23)/b17-10+