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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-15(19(24)23(14-6-13-22)18-7-4-3-5-8-18)28-21(26)17-11-9-16(10-12-17)20(25)27-2/h3-5,7-12,15H,6,14H2,1-2H3