[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c1-20(2)15-7-3-6-14(12-15)17(23)24-13-16(22)21(10-4-8-18)11-5-9-19/h3,6-7,12H,4-5,10-11,13H2,1-2H3