[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16FN3O4 MolecularWeight: 333.314343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)F

InChI

InChI=1S/C16H16FN3O4/c1-23-14-5-4-12(10-13(14)17)16(22)24-11-15(21)20(8-2-6-18)9-3-7-19/h4-5,10H,2-3,8-9,11H2,1H3