[4-[2-(cyanomethoxy)-2-oxidanylidene-ethoxy]phenyl]methyl 4-(2-cyanoethanoyl)benzoate

Systemtic Name: [4-[2-(cyanomethoxy)-2-oxidanylidene-ethoxy]phenyl]methyl 4-(2-cyanoethanoyl)benzoate Openeye Name: [4-[2-(cyanomethoxy)-2-oxo-ethoxy]phenyl]methyl 4-(2-cyanoacetyl)benzoate CAS Name: 4-(2-cyano-1-oxoethyl)benzoic acid [4-[2-(cyanomethoxy)-2-oxoethoxy]phenyl]methyl ester IUPAC Name: [4-[2-(cyanomethoxy)-2-oxoethoxy]phenyl]methyl 4-(2-cyanoacetyl)benzoate Traditional Name: 4-(2-cyanoacetyl)benzoic acid [4-[2-(cyanomethoxy)-2-keto-ethoxy]benzyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)C(=O)CC#N)OCC(=O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)C(=O)CC#N)OCC(=O)OCC#N

InChI

InChI=1S/C21H16N2O6/c22-10-9-19(24)16-3-5-17(6-4-16)21(26)29-13-15-1-7-18(8-2-15)28-14-20(25)27-12-11-23/h1-8H,9,12-14H2