diethyl 5-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2-[4-(cyanomethyl)anilino]-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[4-(cyanomethyl)anilino]-2-keto-ethoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)CC#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)CC#N)C(=O)OCC

InChI

InChI=1S/C22H22N2O6/c1-3-28-21(26)16-11-17(22(27)29-4-2)13-19(12-16)30-14-20(25)24-18-7-5-15(6-8-18)9-10-23/h5-8,11-13H,3-4,9,14H2,1-2H3,(H,24,25)