O4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-26-19(24)15-8-10-16(11-9-15)20(25)27-14-18(23)22(13-5-12-21)17-6-3-2-4-7-17/h2-4,6-11H,5,13-14H2,1H3