4-[[2-[(E)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-[(E)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-[(E)-2-cyano-3-(dimethylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-[(E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-(dimethylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoate Formula: C20H17N2O4- MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CN(C)C(=O)/C(=C/C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C20H18N2O4/c1-22(2)19(23)17(12-21)11-16-5-3-4-6-18(16)26-13-14-7-9-15(10-8-14)20(24)25/h3-11H,13H2,1-2H3,(H,24,25)/p-1/b17-11+