[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[bis(fluoranyl)methoxy]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(difluoromethoxy)benzoate CAS Name: 3-(difluoromethoxy)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(difluoromethoxy)benzoate Traditional Name: 3-(difluoromethoxy)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H12F2N2O4 MolecularWeight: 310.252886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)OC(F)F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=CC=C1)OC(F)F)/N

InChI

InChI=1S/C14H12F2N2O4/c1-8(18)11(6-17)12(19)7-21-13(20)9-3-2-4-10(5-9)22-14(15)16/h2-5,14H,7,18H2,1H3/b11-8+