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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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