dimethyl 5-[2-(4-cyano-2-ethoxy-phenoxy)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-cyano-2-ethoxy-phenoxy)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-cyano-2-ethoxy-phenoxy)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-cyano-2-ethoxyphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-cyano-2-ethoxy-phenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20N2O7/c1-4-29-18-7-13(11-22)5-6-17(18)30-12-19(24)23-16-9-14(20(25)27-2)8-15(10-16)21(26)28-3/h5-10H,4,12H2,1-3H3,(H,23,24)