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

Systemtic Name: O4-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-15-4-10-18(11-5-15)23(13-3-12-22)19(24)14-28-21(26)17-8-6-16(7-9-17)20(25)27-2/h4-11H,3,13-14H2,1-2H3