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

Systemtic Name: dimethyl 5-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-26-19(24)14-9-15(20(25)27-2)11-17(10-14)28-12-18(23)22-16-5-3-13(4-6-16)7-8-21/h3-6,9-11H,7,12H2,1-2H3,(H,22,23)