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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H19N3O3/c1-2-14-5-7-15(8-6-14)17(22)23-13-16(21)20(11-3-9-18)12-4-10-19/h5-8H,2-4,11-13H2,1H3