[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-2-methyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-2-methyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-fluoro-2-methyl-benzoate CAS Name: 5-fluoro-2-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-fluoro-2-methylbenzoate Traditional Name: 5-fluoro-2-methyl-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN3O3/c1-12-4-5-13(17)10-14(12)16(22)23-11-15(21)20(8-2-6-18)9-3-7-19/h4-5,10H,2-3,8-9,11H2,1H3