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

Systemtic Name: O4-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-24-16(22)13-4-6-14(7-5-13)17(23)25-12-15(21)20(10-2-8-18)11-3-9-19/h4-7H,2-3,10-12H2,1H3