[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H14N4O3/c17-7-1-9-20(10-2-8-18)15(21)12-23-16(22)14-5-3-13(11-19)4-6-14/h3-6H,1-2,9-10,12H2