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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-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(=C1C)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H19N3O3/c1-13-6-3-7-15(14(13)2)17(22)23-12-16(21)20(10-4-8-18)11-5-9-19/h3,6-7H,4-5,10-12H2,1-2H3