[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[bis(fluoranyl)methoxy]-3-ethoxy-benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[bis(fluoranyl)methoxy]-3-ethoxy-benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-(difluoromethoxy)-3-ethoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-ethoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(difluoromethoxy)-3-ethoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-ethoxy-benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16F2N2O5 MolecularWeight: 354.305446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C(C#N)C(=N)C)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)OC(F)F

InChI

InChI=1S/C16H16F2N2O5/c1-3-23-14-6-10(4-5-13(14)25-16(17)18)15(22)24-8-12(21)11(7-19)9(2)20/h4-6,11,16,20H,3,8H2,1-2H3/t11-/m0/s1