[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic 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:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C17H19N3O3/c1-13-9-14(2)11-15(10-13)17(22)23-12-16(21)20(7-3-5-18)8-4-6-19/h9-11H,3-4,7-8,12H2,1-2H3